CID 70413

Chlorpromazine sulfoxide

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2OS/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)22(21)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
QEPPAOXKZOTMPM-UHFFFAOYSA-N
Compound name
3-(2-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

44
References

118
Patents

334.09067 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09795 173.0
[M+Na]+ 357.07989 182.5
[M-H]- 333.08339 178.2
[M+NH4]+ 352.12449 189.9
[M+K]+ 373.05383 176.5
[M+H-H2O]+ 317.08793 166.0
[M+HCOO]- 379.08887 183.9
[M+CH3COO]- 393.10452 184.2
[M+Na-2H]- 355.06534 176.5
[M]+ 334.09012 179.6
[M]- 334.09122 179.6
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.