CID 3053602

70166-84-6

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CC1=CC=CC=C1NC(=O)NC(=O)CN2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25N3O3/c1-16-7-5-6-10-18(16)22-20(26)23-19(25)15-24-13-11-21(27,12-14-24)17-8-3-2-4-9-17/h2-10,27H,11-15H2,1H3,(H2,22,23,25,26)
InChIKey
FTQBXLXHQPXDND-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(2-methylphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 188.4
[M+Na]+ 390.178818 190.7
[M-H]- 366.182324 194.2
[M+NH4]+ 385.223423 199.0
[M+K]+ 406.152758 186.4
[M+H-H2O]+ 350.186860 178.4
[M+HCOO]- 412.187801 205.6
[M+CH3COO]- 426.203451 216.8
[M+Na-2H]- 388.164266 190.5
[M]+ 367.18905142 182.8
[M]- 367.19014858 182.8
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.