CID 3084059

Prochlorperazine sulfoxide

Structural Information

Molecular Formula
C20H24ClN3OS
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H24ClN3OS/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)26(25)20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey
AZGYHFQQUZPAFZ-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

389.13287 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14015 190.6
[M+Na]+ 412.12209 206.7
[M+NH4]+ 407.16669 199.8
[M+K]+ 428.09603 194.4
[M-H]- 388.12559 195.3
[M+Na-2H]- 410.10754 196.4
[M]+ 389.13232 195.2
[M]- 389.13342 195.2
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