PubChemLite - Cep-33779 (C24H26N6O2S)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)

InChIKey

RFZKSQIFOZZIAQ-UHFFFAOYSA-N

Compound name

N-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

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]+	463.19108	207.2
[M+Na]+	485.17302	222.6
[M+NH4]+	480.21762	213.0
[M+K]+	501.14696	215.0
[M-H]-	461.17652	213.1
[M+Na-2H]-	483.15847	217.0
[M]+	462.18325	211.6
[M]-	462.18435	211.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.19108

207.2

[M+Na]+

485.17302

222.6

[M+NH4]+

480.21762

213.0

[M+K]+

501.14696

215.0

[M-H]-

461.17652

213.1

[M+Na-2H]-

483.15847

217.0

[M]+

462.18325

211.6

[M]-

462.18435

211.6

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

Cep-33779

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe