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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.