CID 869855

Piperazine 1,4-bis(4-(4-oxo-2-phenyl-3(4h)-quinazolinyl)benzoate)

Structural Information

Molecular Formula
C21H14N2O3
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H14N2O3/c24-20-17-8-4-5-9-18(17)22-19(14-6-2-1-3-7-14)23(20)16-12-10-15(11-13-16)21(25)26/h1-13H,(H,25,26)
InChIKey
UDCJFVPZPKUZGM-UHFFFAOYSA-N
Compound name
4-(4-oxo-2-phenylquinazolin-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.10043 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10771 180.1
[M+Na]+ 365.08965 198.3
[M+NH4]+ 360.13425 187.6
[M+K]+ 381.06359 189.6
[M-H]- 341.09315 186.0
[M+Na-2H]- 363.07510 191.1
[M]+ 342.09988 184.6
[M]- 342.10098 184.6
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.