CID 70413

Chlorpromazine sulfoxide

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
CN(C)CCCN1C2=CC=CC=C2[S@@](=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/t22-/m1/s1
InChIKey
QEPPAOXKZOTMPM-JOCHJYFZSA-N
Compound name
3-[(5R)-2-chloro-5-oxophenothiazin-10-yl]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

44
References

114
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

literature stripe

Patent stripe

patents stripe