CID 508779

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

Structural Information

Molecular Formula
C26H34ClN3O3
SMILES
CC(C)C(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CO
InChI
InChI=1S/C26H34ClN3O3/c1-18(2)24(29-25(32)22-7-3-21(17-31)4-8-22)26(33)28-15-19-11-13-30(14-12-19)16-20-5-9-23(27)10-6-20/h3-10,18-19,24,31H,11-17H2,1-2H3,(H,28,33)(H,29,32)
InChIKey
MYWMWOFDBNEYGP-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-(hydroxymethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.22888 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.23616 214.9
[M+Na]+ 494.21810 214.9
[M-H]- 470.22160 219.8
[M+NH4]+ 489.26270 220.1
[M+K]+ 510.19204 209.1
[M+H-H2O]+ 454.22614 204.8
[M+HCOO]- 516.22708 224.0
[M+CH3COO]- 530.24273 239.1
[M+Na-2H]- 492.20355 210.1
[M]+ 471.22833 212.6
[M]- 471.22943 212.6
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.