CID 225435

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

Structural Information

Molecular Formula
C10H11N5O
SMILES
C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)N)N
InChI
InChI=1S/C10H11N5O/c11-9-8(10(12)16)13-14-15(9)6-7-4-2-1-3-5-7/h1-5H,6,11H2,(H2,12,16)
InChIKey
SPSJTSUTONSWEX-UHFFFAOYSA-N
Compound name
5-amino-1-benzyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

51
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 146.5
[M+Na]+ 240.085578 154.9
[M-H]- 216.089084 149.2
[M+NH4]+ 235.130183 161.6
[M+K]+ 256.059518 151.2
[M+H-H2O]+ 200.093620 137.3
[M+HCOO]- 262.094561 169.3
[M+CH3COO]- 276.110211 191.2
[M+Na-2H]- 238.071026 150.6
[M]+ 217.09581142 144.0
[M]- 217.09690858 144.0
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