CID 3084059

Prochlorperazine sulfoxide

Structural Information

Molecular Formula
C20H24ClN3OS
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3[S@](=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/t26-/m0/s1
InChIKey
AZGYHFQQUZPAFZ-SANMLTNESA-N
Compound name
(5S)-2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
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 190.1
[M+Na]+ 412.12209 198.2
[M-H]- 388.12559 193.0
[M+NH4]+ 407.16669 201.0
[M+K]+ 428.09603 190.1
[M+H-H2O]+ 372.13013 180.1
[M+HCOO]- 434.13107 192.9
[M+CH3COO]- 448.14672 197.8
[M+Na-2H]- 410.10754 190.6
[M]+ 389.13232 191.4
[M]- 389.13342 191.4
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.