CID 18526204

1-benzyl-5-methyl-1h-1,2,3-triazole-4-carboxamide

Structural Information

Molecular Formula
C11H12N4O
SMILES
CC1=C(N=NN1CC2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C11H12N4O/c1-8-10(11(12)16)13-14-15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,16)
InChIKey
AROOFEHOERSTIR-UHFFFAOYSA-N
Compound name
1-benzyl-5-methyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

216.1011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.108376 147.5
[M+Na]+ 239.090318 156.3
[M-H]- 215.093824 150.5
[M+NH4]+ 234.134923 163.2
[M+K]+ 255.064258 152.8
[M+H-H2O]+ 199.098360 138.4
[M+HCOO]- 261.099301 169.6
[M+CH3COO]- 275.114951 189.6
[M+Na-2H]- 237.075766 151.4
[M]+ 216.10055142 147.1
[M]- 216.10164858 147.1
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