CID 5495900

3,4-dichloro-n-[(1s)-1-methyl-2-[[1-(1-naphthylmethyl)-4-piperidyl]methylamino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C27H29Cl2N3O2
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H29Cl2N3O2/c1-18(31-27(34)21-9-10-24(28)25(29)15-21)26(33)30-16-19-11-13-32(14-12-19)17-22-7-4-6-20-5-2-3-8-23(20)22/h2-10,15,18-19H,11-14,16-17H2,1H3,(H,30,33)(H,31,34)/t18-/m0/s1
InChIKey
CGUALODVBVHFDR-SFHVURJKSA-N
Compound name
3,4-dichloro-N-[(2S)-1-[[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1637 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.17098 217.6
[M+Na]+ 520.15292 220.6
[M-H]- 496.15642 224.0
[M+NH4]+ 515.19752 224.2
[M+K]+ 536.12686 212.9
[M+H-H2O]+ 480.16096 207.5
[M+HCOO]- 542.16190 223.2
[M+CH3COO]- 556.17755 222.9
[M+Na-2H]- 518.13837 215.4
[M]+ 497.16315 217.6
[M]- 497.16425 217.6
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.