CID 508747

N-[(1r)-1-[(1-benzyl-4-piperidyl)carbamoyl]-3-methyl-butyl]-3-nitro-benzamide

Structural Information

Molecular Formula
C25H32N4O4
SMILES
CC(C)C[C@H](C(=O)NC1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C25H32N4O4/c1-18(2)15-23(27-24(30)20-9-6-10-22(16-20)29(32)33)25(31)26-21-11-13-28(14-12-21)17-19-7-4-3-5-8-19/h3-10,16,18,21,23H,11-15,17H2,1-2H3,(H,26,31)(H,27,30)/t23-/m1/s1
InChIKey
OVMJLOPQCNGSTP-HSZRJFAPSA-N
Compound name
N-[(2R)-1-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.24237 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.24965 207.5
[M+Na]+ 475.23159 204.4
[M-H]- 451.23509 213.3
[M+NH4]+ 470.27619 211.6
[M+K]+ 491.20553 197.1
[M+H-H2O]+ 435.23963 200.5
[M+HCOO]- 497.24057 223.5
[M+CH3COO]- 511.25622 232.2
[M+Na-2H]- 473.21704 206.8
[M]+ 452.24182 200.7
[M]- 452.24292 200.7
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.