CID 3053648

70203-83-7

Structural Information

Molecular Formula
C23H18N2O3
SMILES
C1=CC=C(C=C1)CC(C(=O)O)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H18N2O3/c26-22-18-13-7-8-14-19(18)24-21(17-11-5-2-6-12-17)25(22)20(23(27)28)15-16-9-3-1-4-10-16/h1-14,20H,15H2,(H,27,28)
InChIKey
SIMPOOHZTWSGDT-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylquinazolin-3-yl)-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.13174 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13902 188.3
[M+Na]+ 393.12096 195.0
[M-H]- 369.12446 194.6
[M+NH4]+ 388.16556 196.7
[M+K]+ 409.09490 188.4
[M+H-H2O]+ 353.12900 176.7
[M+HCOO]- 415.12994 204.8
[M+CH3COO]- 429.14559 197.0
[M+Na-2H]- 391.10641 192.2
[M]+ 370.13119 187.9
[M]- 370.13229 187.9
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.