CID 253350

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

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N)N
InChI
InChI=1S/C9H9N5O/c10-8-7(9(11)15)12-13-14(8)6-4-2-1-3-5-6/h1-5H,10H2,(H2,11,15)
InChIKey
OHURUUSZJHIVTO-UHFFFAOYSA-N
Compound name
5-amino-1-phenyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

203.0807 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.087976 142.1
[M+Na]+ 226.069918 150.9
[M-H]- 202.073424 145.0
[M+NH4]+ 221.114523 157.7
[M+K]+ 242.043858 147.5
[M+H-H2O]+ 186.077960 133.1
[M+HCOO]- 248.078901 165.3
[M+CH3COO]- 262.094551 188.2
[M+Na-2H]- 224.055366 146.7
[M]+ 203.08015142 139.3
[M]- 203.08124858 139.3
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

No patent data available for this compound.