PubChemLite - Bms-911543 (C23H28N8O)

Structural Information

Molecular Formula

SMILES

CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6

InChI

InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)

InChIKey

JCINBYQJBYJGDM-UHFFFAOYSA-N

Compound name

N,N-dicyclopropyl-7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

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]+	433.24590	222.9
[M+Na]+	455.22784	233.4
[M-H]-	431.23134	231.7
[M+NH4]+	450.27244	222.8
[M+K]+	471.20178	223.4
[M+H-H2O]+	415.23588	216.4
[M+HCOO]-	477.23682	239.7
[M+CH3COO]-	491.25247	228.6
[M+Na-2H]-	453.21329	216.5
[M]+	432.23807	232.0
[M]-	432.23917	232.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.24590

222.9

[M+Na]+

455.22784

233.4

[M-H]-

431.23134

231.7

[M+NH4]+

450.27244

222.8

[M+K]+

471.20178

223.4

[M+H-H2O]+

415.23588

216.4

[M+HCOO]-

477.23682

239.7

[M+CH3COO]-

491.25247

228.6

[M+Na-2H]-

453.21329

216.5

[M]+

432.23807

232.0

[M]-

432.23917

232.0

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

Bms-911543

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe