CID 135447892

2-{[7-(methoxycarbonyl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}benzoic acid

Structural Information

Molecular Formula
C18H14N2O5
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)NC(=N2)CC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C18H14N2O5/c1-25-18(24)11-6-7-13-14(8-11)19-15(20-16(13)21)9-10-4-2-3-5-12(10)17(22)23/h2-8H,9H2,1H3,(H,22,23)(H,19,20,21)
InChIKey
ORZHVONLWFVLRA-UHFFFAOYSA-N
Compound name
2-[(7-methoxycarbonyl-4-oxo-3H-quinazolin-2-yl)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09027 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 175.9
[M+Na]+ 361.07949 184.3
[M-H]- 337.08299 178.8
[M+NH4]+ 356.12409 185.9
[M+K]+ 377.05343 179.5
[M+H-H2O]+ 321.08753 166.6
[M+HCOO]- 383.08847 192.3
[M+CH3COO]- 397.10412 206.8
[M+Na-2H]- 359.06494 179.2
[M]+ 338.08972 177.6
[M]- 338.09082 177.6
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.