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 194.9
[M+Na]+ 420.18938 196.5
[M-H]- 396.19288 200.5
[M+NH4]+ 415.23398 204.1
[M+K]+ 436.16332 192.9
[M+H-H2O]+ 380.19742 184.5
[M+HCOO]- 442.19836 212.0
[M+CH3COO]- 456.21401 222.0
[M+Na-2H]- 418.17483 196.8
[M]+ 397.19961 191.1
[M]- 397.20071 191.1
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.