CID 3048280

63886-96-4

Structural Information

Molecular Formula
C9H9N5O
SMILES
C1=CC(=CC=C1C(=O)NN2C=NC=N2)N
InChI
InChI=1S/C9H9N5O/c10-8-3-1-7(2-4-8)9(15)13-14-6-11-5-12-14/h1-6H,10H2,(H,13,15)
InChIKey
IANLIXWJIDFXSI-UHFFFAOYSA-N
Compound name
4-amino-N-(1,2,4-triazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0807 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08798 142.0
[M+Na]+ 226.06992 152.9
[M+NH4]+ 221.11452 148.4
[M+K]+ 242.04386 150.1
[M-H]- 202.07342 144.1
[M+Na-2H]- 224.05537 149.6
[M]+ 203.08015 143.7
[M]- 203.08125 143.7
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

No patent data available for this compound.