CID 686169

N-(4-methylphenyl)-1h-1,2,4-triazole-5-carboxamide

Structural Information

Molecular Formula
C10H10N4O
SMILES
CC1=CC=C(C=C1)NC(=O)C2=NC=NN2
InChI
InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)13-10(15)9-11-6-12-14-9/h2-6H,1H3,(H,13,15)(H,11,12,14)
InChIKey
ZZJKJERENHEXMK-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

202.08546 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.09274 143.6
[M+Na]+ 225.07468 155.4
[M+NH4]+ 220.11928 150.2
[M+K]+ 241.04862 151.9
[M-H]- 201.07818 145.1
[M+Na-2H]- 223.06013 151.0
[M]+ 202.08491 145.4
[M]- 202.08601 145.4
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

patents stripe