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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.097946	172.7
[M+Na]+	357.079888	180.0
[M-H]-	333.083394	175.9
[M+NH4]+	352.124493	188.3
[M+K]+	373.053828	169.1
[M+H-H2O]+	317.087930	170.5
[M+HCOO]-	379.088871	181.6
[M+CH3COO]-	393.104521	204.4
[M+Na-2H]-	355.065336	180.1
[M]+	334.09012142	174.8
[M]-	334.09121858	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe