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]+ 343.107706 180.4
[M+Na]+ 365.089648 189.5
[M-H]- 341.093154 187.5
[M+NH4]+ 360.134253 190.5
[M+K]+ 381.063588 182.7
[M+H-H2O]+ 325.097690 169.2
[M+HCOO]- 387.098631 198.7
[M+CH3COO]- 401.114281 190.5
[M+Na-2H]- 363.075096 185.7
[M]+ 342.09988142 180.5
[M]- 342.10097858 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.