CID 98936

63815-49-6

Structural Information

Molecular Formula
C23H29NO4
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C23H29NO4/c1-2-22(26)18-8-10-21(11-9-18)28-17-20(25)16-24-14-12-23(27,13-15-24)19-6-4-3-5-7-19/h3-11,20,25,27H,2,12-17H2,1H3
InChIKey
VBQYVPWJXQKIMF-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.20966 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.21694 194.7
[M+Na]+ 406.19888 196.7
[M-H]- 382.20238 198.8
[M+NH4]+ 401.24348 204.3
[M+K]+ 422.17282 192.3
[M+H-H2O]+ 366.20692 184.8
[M+HCOO]- 428.20786 207.5
[M+CH3COO]- 442.22351 214.7
[M+Na-2H]- 404.18433 194.1
[M]+ 383.20911 191.5
[M]- 383.21021 191.5
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.