CID 508908

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

Structural Information

Molecular Formula
C22H26Br2N4O2
SMILES
C1CN(CCC1CNC(=O)CNC(=O)C2=C(C=CC(=C2)Br)N)CC3=CC=C(C=C3)Br
InChI
InChI=1S/C22H26Br2N4O2/c23-17-3-1-16(2-4-17)14-28-9-7-15(8-10-28)12-26-21(29)13-27-22(30)19-11-18(24)5-6-20(19)25/h1-6,11,15H,7-10,12-14,25H2,(H,26,29)(H,27,30)
InChIKey
UKWCJZUWFXNVAA-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-N-[2-[[1-[(4-bromophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.04224 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.04952 199.4
[M+Na]+ 559.03146 202.4
[M-H]- 535.03496 207.0
[M+NH4]+ 554.07606 207.4
[M+K]+ 575.00540 185.6
[M+H-H2O]+ 519.03950 202.1
[M+HCOO]- 581.04044 210.2
[M+CH3COO]- 595.05609 242.5
[M+Na-2H]- 557.01691 198.9
[M]+ 536.04169 227.8
[M]- 536.04279 227.8
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.