PubChemLite - 59910-30-4 (C22H19ClN2O3)

Structural Information

Molecular Formula

SMILES

CCC1C2=C(COC1=O)C(=O)N3C(C4=C(C5=CC=CC=C5N=C4C3=C2)Cl)CC

InChI

InChI=1S/C22H19ClN2O3/c1-3-11-13-9-17-20-18(19(23)12-7-5-6-8-15(12)24-20)16(4-2)25(17)21(26)14(13)10-28-22(11)27/h5-9,11,16H,3-4,10H2,1-2H3

InChIKey

DMEFYKZHPYTSLZ-UHFFFAOYSA-N

Compound name

10-chloro-12,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

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]+	395.11571	195.5
[M+Na]+	417.09765	208.2
[M-H]-	393.10115	201.1
[M+NH4]+	412.14225	210.1
[M+K]+	433.07159	201.2
[M+H-H2O]+	377.10569	186.6
[M+HCOO]-	439.10663	204.5
[M+CH3COO]-	453.12228	205.7
[M+Na-2H]-	415.08310	197.1
[M]+	394.10788	202.0
[M]-	394.10898	202.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.11571

195.5

[M+Na]+

417.09765

208.2

[M-H]-

393.10115

201.1

[M+NH4]+

412.14225

210.1

[M+K]+

433.07159

201.2

[M+H-H2O]+

377.10569

186.6

[M+HCOO]-

439.10663

204.5

[M+CH3COO]-

453.12228

205.7

[M+Na-2H]-

415.08310

197.1

[M]+

394.10788

202.0

[M]-

394.10898

202.0

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

59910-30-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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