CID 3056016

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

Structural Information

Molecular Formula
C21H14N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C21H14N2O4/c24-18-8-4-2-6-16(18)19-22-17-7-3-1-5-15(17)20(25)23(19)14-11-9-13(10-12-14)21(26)27/h1-12,24H,(H,26,27)
InChIKey
PAFJHEDVCXMMDF-UHFFFAOYSA-N
Compound name
4-[2-(2-hydroxyphenyl)-4-oxoquinazolin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.09537 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.10265 184.0
[M+Na]+ 381.08459 201.5
[M+NH4]+ 376.12919 190.6
[M+K]+ 397.05853 193.9
[M-H]- 357.08809 189.1
[M+Na-2H]- 379.07004 193.7
[M]+ 358.09482 188.0
[M]- 358.09592 188.0
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.