CID 2815312

93444-91-8

Structural Information

Molecular Formula
C10H10ClN5O
SMILES
C1=CC=C(C(=C1)CN2C(=C(N=N2)C(=O)N)N)Cl
InChI
InChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-16-9(12)8(10(13)17)14-15-16/h1-4H,5,12H2,(H2,13,17)
InChIKey
YNHMYRUNFIQMPN-UHFFFAOYSA-N
Compound name
5-amino-1-[(2-chlorophenyl)methyl]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

251.05739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06467 154.1
[M+Na]+ 274.04661 164.0
[M-H]- 250.05011 156.8
[M+NH4]+ 269.09121 168.9
[M+K]+ 290.02055 158.7
[M+H-H2O]+ 234.05465 145.4
[M+HCOO]- 296.05559 172.1
[M+CH3COO]- 310.07124 196.1
[M+Na-2H]- 272.03206 156.7
[M]+ 251.05684 153.9
[M]- 251.05794 153.9
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