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]+ 382.212506 192.9
[M+Na]+ 404.194448 195.7
[M-H]- 380.197954 199.0
[M+NH4]+ 399.239053 203.3
[M+K]+ 420.168388 191.4
[M+H-H2O]+ 364.202490 183.0
[M+HCOO]- 426.203431 209.8
[M+CH3COO]- 440.219081 221.0
[M+Na-2H]- 402.179896 193.8
[M]+ 381.20468142 188.1
[M]- 381.20577858 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.