CID 3076526

Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)benzoyl)-4-phenyl-

Structural Information

Molecular Formula
C31H26BrN5O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=C(C4=O)C=CC(=C5)Br)C6=CC=CC=C6
InChI
InChI=1S/C31H26BrN5O2/c32-24-13-16-27-28(21-24)33-29(22-7-3-1-4-8-22)37(31(27)39)34-25-14-11-23(12-15-25)30(38)36-19-17-35(18-20-36)26-9-5-2-6-10-26/h1-16,21,34H,17-20H2
InChIKey
HECBHQNVBBNFAI-UHFFFAOYSA-N
Compound name
7-bromo-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

579.127 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.13428 232.6
[M+Na]+ 602.11622 238.4
[M-H]- 578.11972 243.7
[M+NH4]+ 597.16082 233.5
[M+K]+ 618.09016 224.1
[M+H-H2O]+ 562.12426 224.1
[M+HCOO]- 624.12520 242.2
[M+CH3COO]- 638.14085 238.1
[M+Na-2H]- 600.10167 234.5
[M]+ 579.12645 245.3
[M]- 579.12755 245.3
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.