CID 443037

Chlorpromazine n-oxide

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)[O-]
InChI
InChI=1S/C17H19ClN2OS/c1-20(2,21)11-5-10-19-14-6-3-4-7-16(14)22-17-9-8-13(18)12-15(17)19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
LFDFWIIFGRXCFR-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

11
Patents

334.09067 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09795 172.7
[M+Na]+ 357.07989 180.0
[M-H]- 333.08339 175.9
[M+NH4]+ 352.12449 188.3
[M+K]+ 373.05383 169.1
[M+H-H2O]+ 317.08793 170.5
[M+HCOO]- 379.08887 181.6
[M+CH3COO]- 393.10452 204.4
[M+Na-2H]- 355.06534 180.1
[M]+ 334.09012 174.8
[M]- 334.09122 174.8
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