CID 165214

Chlorpromazine sulfone

Structural Information

Molecular Formula
C17H19ClN2O2S
SMILES
CN(C)CCCN1C2=CC=CC=C2S(=O)(=O)C3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)23(21,22)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
QBZBVQGQXSKQPX-UHFFFAOYSA-N
Compound name
3-(2-chloro-5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

350.08557 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09285 174.6
[M+Na]+ 373.07479 185.1
[M-H]- 349.07829 180.0
[M+NH4]+ 368.11939 192.7
[M+K]+ 389.04873 179.4
[M+H-H2O]+ 333.08283 167.9
[M+HCOO]- 395.08377 185.9
[M+CH3COO]- 409.09942 186.1
[M+Na-2H]- 371.06024 179.8
[M]+ 350.08502 182.3
[M]- 350.08612 182.3
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

patents stripe