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

20
Patents

216.1011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 147.5
[M+Na]+ 239.09032 156.3
[M-H]- 215.09382 150.5
[M+NH4]+ 234.13492 163.2
[M+K]+ 255.06426 152.8
[M+H-H2O]+ 199.09836 138.4
[M+HCOO]- 261.09930 169.6
[M+CH3COO]- 275.11495 189.6
[M+Na-2H]- 237.07577 151.4
[M]+ 216.10055 147.1
[M]- 216.10165 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