CID 6410565

70292-26-1

Structural Information

Molecular Formula
C13H10N4O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3=NNN=C3C(=O)O
InChI
InChI=1S/C13H10N4O2/c18-13(19)11-12(16-17-15-11)14-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,18,19)(H2,14,15,16,17)
InChIKey
JTZYJVLOAIYUNC-UHFFFAOYSA-N
Compound name
5-(naphthalen-1-ylamino)-2H-triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08037 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08765 153.3
[M+Na]+ 277.06959 162.6
[M-H]- 253.07309 155.5
[M+NH4]+ 272.11419 167.2
[M+K]+ 293.04353 156.9
[M+H-H2O]+ 237.07763 144.5
[M+HCOO]- 299.07857 173.7
[M+CH3COO]- 313.09422 164.7
[M+Na-2H]- 275.05504 160.6
[M]+ 254.07982 152.7
[M]- 254.08092 152.7
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.