CID 118176

Centpropazine

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3
InChIKey
ZQPXSRTZFYHSFB-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

73
Patents

368.21 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.6
[M+Na]+ 391.19922 203.7
[M+NH4]+ 386.24382 197.6
[M+K]+ 407.17316 196.6
[M-H]- 367.20272 195.5
[M+Na-2H]- 389.18467 198.6
[M]+ 368.20945 194.2
[M]- 368.21055 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe