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]+ 385.212176 193.1
[M+Na]+ 407.194118 194.7
[M-H]- 383.197624 197.3
[M+NH4]+ 402.238723 202.4
[M+K]+ 423.168058 190.7
[M+H-H2O]+ 367.202160 183.2
[M+HCOO]- 429.203101 207.4
[M+CH3COO]- 443.218751 216.4
[M+Na-2H]- 405.179566 193.8
[M]+ 384.20435142 188.9
[M]- 384.20544858 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