CID 3076529

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

Structural Information

Molecular Formula
C26H23BrN4O2
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C26H23BrN4O2/c27-20-11-14-22-23(17-20)28-24(18-7-3-1-4-8-18)31(26(22)33)29-21-12-9-19(10-13-21)25(32)30-15-5-2-6-16-30/h1,3-4,7-14,17,29H,2,5-6,15-16H2
InChIKey
RMCCDADGMVZNOD-UHFFFAOYSA-N
Compound name
7-bromo-2-phenyl-3-[4-(piperidine-1-carbonyl)anilino]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.10043 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.10771 213.0
[M+Na]+ 525.08965 219.9
[M-H]- 501.09315 223.2
[M+NH4]+ 520.13425 219.0
[M+K]+ 541.06359 206.2
[M+H-H2O]+ 485.09769 206.5
[M+HCOO]- 547.09863 225.1
[M+CH3COO]- 561.11428 220.7
[M+Na-2H]- 523.07510 216.0
[M]+ 502.09988 226.8
[M]- 502.10098 226.8
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.