CID 47407

Brn 1511532

Structural Information

Molecular Formula
C22H28N2O4
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(CN2CCC(CC2)(C3=CC=CC=C3)O)O
InChI
InChI=1S/C22H28N2O4/c1-17(25)23-19-7-9-21(10-8-19)28-16-20(26)15-24-13-11-22(27,12-14-24)18-5-3-2-4-6-18/h2-10,20,26-27H,11-16H2,1H3,(H,23,25)
InChIKey
AAIIWQMVZVPXGY-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

384.2049 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 193.1
[M+Na]+ 407.19412 194.7
[M-H]- 383.19762 197.3
[M+NH4]+ 402.23872 202.4
[M+K]+ 423.16806 190.7
[M+H-H2O]+ 367.20216 183.2
[M+HCOO]- 429.20310 207.4
[M+CH3COO]- 443.21875 216.4
[M+Na-2H]- 405.17957 193.8
[M]+ 384.20435 188.9
[M]- 384.20545 188.9
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

patents stripe