CID 508866

2-amino-5-bromo-n-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]-4-piperidyl]methylamino]ethyl]benzamide

Structural Information

Molecular Formula
C29H32BrN5O3
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)Br)N)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C29H32BrN5O3/c30-23-10-11-26(31)25(16-23)29(38)33-18-27(36)32-17-20-12-14-35(15-13-20)19-21-6-8-22(9-7-21)28(37)34-24-4-2-1-3-5-24/h1-11,16,20H,12-15,17-19,31H2,(H,32,36)(H,33,38)(H,34,37)
InChIKey
QDHZFGAIWUSNKC-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-N-[2-oxo-2-[[1-[[4-(phenylcarbamoyl)phenyl]methyl]piperidin-4-yl]methylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.1688 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.17608 227.4
[M+Na]+ 600.15802 227.8
[M-H]- 576.16152 237.4
[M+NH4]+ 595.20262 230.4
[M+K]+ 616.13196 215.1
[M+H-H2O]+ 560.16606 219.9
[M+HCOO]- 622.16700 242.0
[M+CH3COO]- 636.18265 257.1
[M+Na-2H]- 598.14347 226.0
[M]+ 577.16825 238.7
[M]- 577.16935 238.7
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.