PubChemLite - Ethyl 2-(4-(2-oxo-2h-chromen-4-yloxy)-6-(3-(4-chlorophenyl) ureido)-1,3,5-triazin-2-ylamino)acetate (C23H19ClN6O6)

Structural Information

Molecular Formula

SMILES

CCOC(=O)CNC1=NC(=NC(=N1)OC2=CC(=O)OC3=CC=CC=C32)NC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN6O6/c1-2-34-19(32)12-25-20-27-21(28-22(33)26-14-9-7-13(24)8-10-14)30-23(29-20)36-17-11-18(31)35-16-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H3,25,26,27,28,29,30,33)

InChIKey

FXWQPJJTBSXYSA-UHFFFAOYSA-N

Compound name

ethyl 2-[[4-[(4-chlorophenyl)carbamoylamino]-6-(2-oxochromen-4-yl)oxy-1,3,5-triazin-2-yl]amino]acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	511.11275	215.7
[M+Na]+	533.09469	222.4
[M-H]-	509.09819	223.5
[M+NH4]+	528.13929	216.8
[M+K]+	549.06863	218.8
[M+H-H2O]+	493.10273	202.7
[M+HCOO]-	555.10367	230.8
[M+CH3COO]-	569.11932	247.0
[M+Na-2H]-	531.08014	221.8
[M]+	510.10492	223.1
[M]-	510.10602	223.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

511.11275

215.7

[M+Na]+

533.09469

222.4

[M-H]-

509.09819

223.5

[M+NH4]+

528.13929

216.8

[M+K]+

549.06863

218.8

[M+H-H2O]+

493.10273

202.7

[M+HCOO]-

555.10367

230.8

[M+CH3COO]-

569.11932

247.0

[M+Na-2H]-

531.08014

221.8

[M]+

510.10492

223.1

[M]-

510.10602

223.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Ethyl 2-(4-(2-oxo-2h-chromen-4-yloxy)-6-(3-(4-chlorophenyl) ureido)-1,3,5-triazin-2-ylamino)acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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