PubChemLite - Bms-919373 (C25H20N6O2S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C3C(=CC=C2)N=C(N=C3NCC4=CC=CC=N4)C5=CC(=CN=C5)S(=O)(=O)N

InChI

InChI=1S/C25H20N6O2S/c26-34(32,33)20-13-18(14-27-16-20)24-30-22-11-6-10-21(17-7-2-1-3-8-17)23(22)25(31-24)29-15-19-9-4-5-12-28-19/h1-14,16H,15H2,(H2,26,32,33)(H,29,30,31)

InChIKey

XGKULQQVQWCASY-UHFFFAOYSA-N

Compound name

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-3-sulfonamide

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]+	469.14412	210.1
[M+Na]+	491.12606	218.4
[M-H]-	467.12956	217.8
[M+NH4]+	486.17066	212.3
[M+K]+	507.10000	208.5
[M+H-H2O]+	451.13410	197.2
[M+HCOO]-	513.13504	222.8
[M+CH3COO]-	527.15069	216.7
[M+Na-2H]-	489.11151	217.7
[M]+	468.13629	210.1
[M]-	468.13739	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.14412

210.1

[M+Na]+

491.12606

218.4

[M-H]-

467.12956

217.8

[M+NH4]+

486.17066

212.3

[M+K]+

507.10000

208.5

[M+H-H2O]+

451.13410

197.2

[M+HCOO]-

513.13504

222.8

[M+CH3COO]-

527.15069

216.7

[M+Na-2H]-

489.11151

217.7

[M]+

468.13629

210.1

[M]-

468.13739

210.1

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

Bms-919373

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe