CID 46164

63990-52-3

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC(=C3)C(=O)C)O
InChI
InChI=1S/C22H28N2O3/c1-17-6-8-20(9-7-17)24-12-10-23(11-13-24)15-21(26)16-27-22-5-3-4-19(14-22)18(2)25/h3-9,14,21,26H,10-13,15-16H2,1-2H3
InChIKey
HKUYGGWXIWIJIX-UHFFFAOYSA-N
Compound name
1-[3-[2-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.1
[M+Na]+ 391.19922 193.9
[M-H]- 367.20272 195.3
[M+NH4]+ 386.24382 198.9
[M+K]+ 407.17316 189.2
[M+H-H2O]+ 351.20726 179.9
[M+HCOO]- 413.20820 204.2
[M+CH3COO]- 427.22385 216.3
[M+Na-2H]- 389.18467 189.6
[M]+ 368.20945 188.5
[M]- 368.21055 188.5
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.