CID 852288

724738-59-4

Structural Information

Molecular Formula
C12H9N3O3
SMILES
CN1C(=CC2=C1N=C3C=CC=CN3C2=O)C(=O)O
InChI
InChI=1S/C12H9N3O3/c1-14-8(12(17)18)6-7-10(14)13-9-4-2-3-5-15(9)11(7)16/h2-6H,1H3,(H,17,18)
InChIKey
BHMLNQBJJMJWKY-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

243.06439 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 151.1
[M+Na]+ 266.05361 165.8
[M+NH4]+ 261.09821 157.9
[M+K]+ 282.02755 162.1
[M-H]- 242.05711 151.1
[M+Na-2H]- 264.03906 156.0
[M]+ 243.06384 153.0
[M]- 243.06494 153.0
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.