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 180.4
[M+Na]+ 365.08965 189.5
[M-H]- 341.09315 187.5
[M+NH4]+ 360.13425 190.5
[M+K]+ 381.06359 182.7
[M+H-H2O]+ 325.09769 169.2
[M+HCOO]- 387.09863 198.7
[M+CH3COO]- 401.11428 190.5
[M+Na-2H]- 363.07510 185.7
[M]+ 342.09988 180.5
[M]- 342.10098 180.5
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.