PubChemLite - 81820-09-9 (C24H27N5O5)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N(C(=C2N=NC(=O)COC3=CC=C(C=C3)NC(=O)C)O)CN4CCOCC4

InChI

InChI=1S/C24H27N5O5/c1-16-3-8-21-20(13-16)23(24(32)29(21)15-28-9-11-33-12-10-28)27-26-22(31)14-34-19-6-4-18(5-7-19)25-17(2)30/h3-8,13,32H,9-12,14-15H2,1-2H3,(H,25,30)

InChIKey

BBQUBCCLUKENOQ-UHFFFAOYSA-N

Compound name

2-(4-acetamidophenoxy)-N-[2-hydroxy-5-methyl-1-(morpholin-4-ylmethyl)indol-3-yl]iminoacetamide

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]+	466.20851	210.4
[M+Na]+	488.19045	214.6
[M-H]-	464.19395	220.3
[M+NH4]+	483.23505	216.4
[M+K]+	504.16439	212.4
[M+H-H2O]+	448.19849	198.7
[M+HCOO]-	510.19943	230.5
[M+CH3COO]-	524.21508	243.9
[M+Na-2H]-	486.17590	211.6
[M]+	465.20068	213.7
[M]-	465.20178	213.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.20851

210.4

[M+Na]+

488.19045

214.6

[M-H]-

464.19395

220.3

[M+NH4]+

483.23505

216.4

[M+K]+

504.16439

212.4

[M+H-H2O]+

448.19849

198.7

[M+HCOO]-

510.19943

230.5

[M+CH3COO]-

524.21508

243.9

[M+Na-2H]-

486.17590

211.6

[M]+

465.20068

213.7

[M]-

465.20178

213.7

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

81820-09-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe