CID 3053605

70166-87-9

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2CCC(CC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C22H27N3O3/c1-16-8-9-19(17(2)14-16)23-21(27)24-20(26)15-25-12-10-22(28,11-13-25)18-6-4-3-5-7-18/h3-9,14,28H,10-13,15H2,1-2H3,(H2,23,24,26,27)
InChIKey
RXYZAHPAAFDQQL-UHFFFAOYSA-N
Compound name
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 192.9
[M+Na]+ 404.19445 195.7
[M-H]- 380.19795 199.0
[M+NH4]+ 399.23905 203.3
[M+K]+ 420.16839 191.4
[M+H-H2O]+ 364.20249 183.0
[M+HCOO]- 426.20343 209.8
[M+CH3COO]- 440.21908 221.0
[M+Na-2H]- 402.17990 193.8
[M]+ 381.20468 188.1
[M]- 381.20578 188.1
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.