CID 508777

Benzamide, n-[1-[[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]carbonyl]-2-methylpropyl]-3-methoxy-

Structural Information

Molecular Formula
C26H34ClN3O3
SMILES
CC(C)C(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC(=CC=C3)OC
InChI
InChI=1S/C26H34ClN3O3/c1-18(2)24(29-25(31)21-5-4-6-23(15-21)33-3)26(32)28-16-19-11-13-30(14-12-19)17-20-7-9-22(27)10-8-20/h4-10,15,18-19,24H,11-14,16-17H2,1-3H3,(H,28,32)(H,29,31)
InChIKey
HWTZDGOUXPMDNW-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.22888 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23616 215.4
[M+Na]+ 494.21810 215.8
[M-H]- 470.22160 221.6
[M+NH4]+ 489.26270 221.3
[M+K]+ 510.19204 210.8
[M+H-H2O]+ 454.22614 204.9
[M+HCOO]- 516.22708 226.0
[M+CH3COO]- 530.24273 241.2
[M+Na-2H]- 492.20355 211.0
[M]+ 471.22833 214.9
[M]- 471.22943 214.9
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.