CID 3076522

Piperazine, 1-(4-((4-oxo-2-phenyl-3(4h)quinazolinyl)amino)benzoyl)-4-phenyl-

Structural Information

Molecular Formula
C31H27N5O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C31H27N5O2/c37-30(35-21-19-34(20-22-35)26-11-5-2-6-12-26)24-15-17-25(18-16-24)33-36-29(23-9-3-1-4-10-23)32-28-14-8-7-13-27(28)31(36)38/h1-18,33H,19-22H2
InChIKey
KJCGAWHUDKXEPA-UHFFFAOYSA-N
Compound name
2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.21646 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.22374 224.0
[M+Na]+ 524.20568 227.8
[M-H]- 500.20918 233.1
[M+NH4]+ 519.25028 223.2
[M+K]+ 540.17962 218.1
[M+H-H2O]+ 484.21372 206.7
[M+HCOO]- 546.21466 235.4
[M+CH3COO]- 560.23031 228.1
[M+Na-2H]- 522.19113 226.2
[M]+ 501.21591 218.0
[M]- 501.21701 218.0
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.