CID 71365041

537693-30-4

Structural Information

Molecular Formula
C15H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)NC(=O)N2C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C15H10N2O4/c18-13-9-5-1-3-7-11(9)17(15(21)16-13)12-8-4-2-6-10(12)14(19)20/h1-8H,(H,19,20)(H,16,18,21)
InChIKey
AQDIPTUVOCVNKW-UHFFFAOYSA-N
Compound name
2-(2,4-dioxoquinazolin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.06406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.071336 160.3
[M+Na]+ 305.053278 170.7
[M-H]- 281.056784 163.6
[M+NH4]+ 300.097883 172.9
[M+K]+ 321.027218 165.0
[M+H-H2O]+ 265.061320 151.6
[M+HCOO]- 327.062261 178.5
[M+CH3COO]- 341.077911 195.4
[M+Na-2H]- 303.038726 166.2
[M]+ 282.06351142 160.3
[M]- 282.06460858 160.3
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.