CID 3053614

3-(m-fluorophenyl)-1-((4-hydroxy-4-phenylpiperidino)acetyl)urea

Structural Information

Molecular Formula
C20H22FN3O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC(=O)NC(=O)NC3=CC(=CC=C3)F
InChI
InChI=1S/C20H22FN3O3/c21-16-7-4-8-17(13-16)22-19(26)23-18(25)14-24-11-9-20(27,10-12-24)15-5-2-1-3-6-15/h1-8,13,27H,9-12,14H2,(H2,22,23,25,26)
InChIKey
XXDZUAXVRGJADH-UHFFFAOYSA-N
Compound name
N-[(3-fluorophenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16452 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17180 187.0
[M+Na]+ 394.15374 189.8
[M-H]- 370.15724 191.6
[M+NH4]+ 389.19834 197.3
[M+K]+ 410.12768 185.3
[M+H-H2O]+ 354.16178 176.2
[M+HCOO]- 416.16272 203.5
[M+CH3COO]- 430.17837 216.4
[M+Na-2H]- 392.13919 189.0
[M]+ 371.16397 180.1
[M]- 371.16507 180.1
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.