CID 121249960

6b6jdk6jd5

Structural Information

Molecular Formula
C24H19N5O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CN3C(=NC(=N3)NCC4=CC=C(C=C4)C5=CC=CC=N5)C=C2
InChI
InChI=1S/C24H19N5O2S/c30-32(31,20-6-2-1-3-7-20)21-13-14-23-27-24(28-29(23)17-21)26-16-18-9-11-19(12-10-18)22-8-4-5-15-25-22/h1-15,17H,16H2,(H,26,28)
InChIKey
DZNYUTXBISIQEO-UHFFFAOYSA-N
Compound name
6-(benzenesulfonyl)-N-[(4-pyridin-2-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

441.12595 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.13323 204.2
[M+Na]+ 464.11517 214.3
[M-H]- 440.11867 213.6
[M+NH4]+ 459.15977 210.3
[M+K]+ 480.08911 205.3
[M+H-H2O]+ 424.12321 192.7
[M+HCOO]- 486.12415 219.5
[M+CH3COO]- 500.13980 212.8
[M+Na-2H]- 462.10062 210.1
[M]+ 441.12540 207.6
[M]- 441.12650 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe