CID 508776

3-bromo-n-[1-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylcarbamoyl]-2-methyl-propyl]benzamide

Structural Information

Molecular Formula
C25H31BrClN3O2
SMILES
CC(C)C(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C25H31BrClN3O2/c1-17(2)23(29-24(31)20-4-3-5-21(26)14-20)25(32)28-15-18-10-12-30(13-11-18)16-19-6-8-22(27)9-7-19/h3-9,14,17-18,23H,10-13,15-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKey
ZBWDSRNEJAJVJP-UHFFFAOYSA-N
Compound name
3-bromo-N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.12885 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.13613 216.7
[M+Na]+ 542.11807 220.3
[M-H]- 518.12157 224.9
[M+NH4]+ 537.16267 224.9
[M+K]+ 558.09201 206.4
[M+H-H2O]+ 502.12611 212.6
[M+HCOO]- 564.12705 225.2
[M+CH3COO]- 578.14270 242.1
[M+Na-2H]- 540.10352 213.6
[M]+ 519.12830 232.8
[M]- 519.12940 232.8
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.