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 190.8
[M+Na]+ 391.19922 192.7
[M-H]- 367.20272 194.6
[M+NH4]+ 386.24382 198.3
[M+K]+ 407.17316 187.9
[M+H-H2O]+ 351.20726 179.4
[M+HCOO]- 413.20820 203.9
[M+CH3COO]- 427.22385 215.0
[M+Na-2H]- 389.18467 190.0
[M]+ 368.20945 187.7
[M]- 368.21055 187.7
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