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 183.7
[M+Na]+ 381.08459 193.0
[M-H]- 357.08809 189.9
[M+NH4]+ 376.12919 192.6
[M+K]+ 397.05853 186.3
[M+H-H2O]+ 341.09263 172.9
[M+HCOO]- 403.09357 200.7
[M+CH3COO]- 417.10922 193.3
[M+Na-2H]- 379.07004 188.0
[M]+ 358.09482 183.9
[M]- 358.09592 183.9
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.