CID 3053683

70292-21-6

Structural Information

Molecular Formula
C13H10N4O2
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=C(N=N3)C(=O)O)N
InChI
InChI=1S/C13H10N4O2/c14-12-11(13(18)19)15-16-17(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,14H2,(H,18,19)
InChIKey
SWLHKIZQGPJQMD-UHFFFAOYSA-N
Compound name
5-amino-1-naphthalen-1-yltriazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08037 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08765 154.7
[M+Na]+ 277.06959 165.3
[M-H]- 253.07309 158.1
[M+NH4]+ 272.11419 169.3
[M+K]+ 293.04353 160.1
[M+H-H2O]+ 237.07763 145.9
[M+HCOO]- 299.07857 175.9
[M+CH3COO]- 313.09422 166.8
[M+Na-2H]- 275.05504 160.5
[M]+ 254.07982 155.2
[M]- 254.08092 155.2
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.