CID 156906982

2-(3-chlorophenyl)-n-[(4s)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide

Structural Information

Molecular Formula
C14H11ClN4O
SMILES
C1=CC2=NN=C(N2C=C1)NC(=O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H11ClN4O/c15-11-5-3-4-10(8-11)9-13(20)16-14-18-17-12-6-1-2-7-19(12)14/h1-8H,9H2,(H,16,18,20)
InChIKey
PICHRHZICCXQLR-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.06213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06941 161.9
[M+Na]+ 309.05135 172.4
[M-H]- 285.05485 166.0
[M+NH4]+ 304.09595 176.8
[M+K]+ 325.02529 166.0
[M+H-H2O]+ 269.05939 152.4
[M+HCOO]- 331.06033 179.9
[M+CH3COO]- 345.07598 173.7
[M+Na-2H]- 307.03680 168.6
[M]+ 286.06158 165.6
[M]- 286.06268 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.