CID 3288904

5-amino-n-benzyl-4h-1,2,4-triazole-3-carboxamide

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=NC(=NN2)N
InChI
InChI=1S/C10H11N5O/c11-10-13-8(14-15-10)9(16)12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H3,11,13,14,15)
InChIKey
LOIWQVIVNXXLAD-UHFFFAOYSA-N
Compound name
3-amino-N-benzyl-1H-1,2,4-triazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10364 145.9
[M+Na]+ 240.08558 153.0
[M-H]- 216.08908 147.4
[M+NH4]+ 235.13018 160.3
[M+K]+ 256.05952 148.9
[M+H-H2O]+ 200.09362 136.7
[M+HCOO]- 262.09456 167.9
[M+CH3COO]- 276.11021 187.5
[M+Na-2H]- 238.07103 151.4
[M]+ 217.09581 142.2
[M]- 217.09691 142.2
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