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]+ 218.103636 145.9
[M+Na]+ 240.085578 153.0
[M-H]- 216.089084 147.4
[M+NH4]+ 235.130183 160.3
[M+K]+ 256.059518 148.9
[M+H-H2O]+ 200.093620 136.7
[M+HCOO]- 262.094561 167.9
[M+CH3COO]- 276.110211 187.5
[M+Na-2H]- 238.071026 151.4
[M]+ 217.09581142 142.2
[M]- 217.09690858 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