CID 62861

Chlorphenethazine hydrochloride

Structural Information

Molecular Formula
C16H17ClN2S
SMILES
CN(C)CCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN2S/c1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19/h3-8,11H,9-10H2,1-2H3
InChIKey
ILROKGAXBGPFAI-UHFFFAOYSA-N
Compound name
2-(2-chlorophenothiazin-10-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

69
Patents

304.0801 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08738 166.2
[M+Na]+ 327.06932 182.0
[M+NH4]+ 322.11392 177.4
[M+K]+ 343.04326 170.1
[M-H]- 303.07282 171.7
[M+Na-2H]- 325.05477 173.7
[M]+ 304.07955 171.1
[M]- 304.08065 171.1
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