CID 3052574

1-piperidineacetamide, n-(((3-methylphenyl)amino)carbonyl)-4-phenyl-

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC1=CC(=CC=C1)NC(=O)NC(=O)CN2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O2/c1-16-6-5-9-19(14-16)22-21(26)23-20(25)15-24-12-10-18(11-13-24)17-7-3-2-4-8-17/h2-9,14,18H,10-13,15H2,1H3,(H2,22,23,25,26)
InChIKey
VRLPIDNETOACCS-UHFFFAOYSA-N
Compound name
N-[(3-methylphenyl)carbamoyl]-2-(4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 185.3
[M+Na]+ 374.18389 187.1
[M-H]- 350.18739 192.1
[M+NH4]+ 369.22849 195.2
[M+K]+ 390.15783 182.4
[M+H-H2O]+ 334.19193 174.5
[M+HCOO]- 396.19287 203.8
[M+CH3COO]- 410.20852 217.3
[M+Na-2H]- 372.16934 186.5
[M]+ 351.19412 179.7
[M]- 351.19522 179.7
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.