CID 3053610

3-(o-ethoxyphenyl)-1-((4-hydroxy-4-phenylpiperidino)acetyl)urea

Structural Information

Molecular Formula
C22H27N3O4
SMILES
CCOC1=CC=CC=C1NC(=O)NC(=O)CN2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C22H27N3O4/c1-2-29-19-11-7-6-10-18(19)23-21(27)24-20(26)16-25-14-12-22(28,13-15-25)17-8-4-3-5-9-17/h3-11,28H,2,12-16H2,1H3,(H2,23,24,26,27)
InChIKey
JIJSFKOKPUNPFM-UHFFFAOYSA-N
Compound name
N-[(2-ethoxyphenyl)carbamoyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.20016 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.20744 196.4
[M+Na]+ 420.18938 205.8
[M+NH4]+ 415.23398 202.8
[M+K]+ 436.16332 198.1
[M-H]- 396.19288 200.7
[M+Na-2H]- 418.17483 204.3
[M]+ 397.19961 198.7
[M]- 397.20071 198.7
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.