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

7
Patents

202.08546 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.092736 143.0
[M+Na]+ 225.074678 151.0
[M-H]- 201.078184 144.9
[M+NH4]+ 220.119283 158.6
[M+K]+ 241.048618 147.2
[M+H-H2O]+ 185.082720 134.1
[M+HCOO]- 247.083661 164.6
[M+CH3COO]- 261.099311 183.0
[M+Na-2H]- 223.060126 148.8
[M]+ 202.08491142 140.9
[M]- 202.08600858 140.9
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