CID 3053608

70166-90-4

Structural Information

Molecular Formula
C21H25N3O4
SMILES
COC1=CC=CC(=C1)NC(=O)NC(=O)CN2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H25N3O4/c1-28-18-9-5-8-17(14-18)22-20(26)23-19(25)15-24-12-10-21(27,11-13-24)16-6-3-2-4-7-16/h2-9,14,27H,10-13,15H2,1H3,(H2,22,23,25,26)
InChIKey
WHXQMVOUJLAKFI-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(3-methoxyphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1845 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19178 192.1
[M+Na]+ 406.17372 201.7
[M+NH4]+ 401.21832 198.6
[M+K]+ 422.14766 194.2
[M-H]- 382.17722 196.4
[M+Na-2H]- 404.15917 200.2
[M]+ 383.18395 194.4
[M]- 383.18505 194.4
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.