CID 5909324

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

Structural Information

Molecular Formula
C23H16N2O3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C23H16N2O3/c26-22-19-8-4-5-9-20(19)24-21(15-10-16-6-2-1-3-7-16)25(22)18-13-11-17(12-14-18)23(27)28/h1-15H,(H,27,28)/b15-10+
InChIKey
CLMUJDJFMCAVDV-XNTDXEJSSA-N
Compound name
4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

368.1161 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12338 188.7
[M+Na]+ 391.10532 197.2
[M-H]- 367.10882 195.4
[M+NH4]+ 386.14992 197.6
[M+K]+ 407.07926 189.4
[M+H-H2O]+ 351.11336 177.1
[M+HCOO]- 413.11430 206.5
[M+CH3COO]- 427.12995 197.9
[M+Na-2H]- 389.09077 192.9
[M]+ 368.11555 188.6
[M]- 368.11665 188.6
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.