CID 74981

Didemethylchlorpromazine

Structural Information

Molecular Formula
C15H15ClN2S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN
InChI
InChI=1S/C15H15ClN2S/c16-11-6-7-15-13(10-11)18(9-3-8-17)12-4-1-2-5-14(12)19-15/h1-2,4-7,10H,3,8-9,17H2
InChIKey
ZTQZBABFEUDZFE-UHFFFAOYSA-N
Compound name
3-(2-chlorophenothiazin-10-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

18
Patents

290.06445 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07173 160.5
[M+Na]+ 313.05367 170.0
[M-H]- 289.05717 163.7
[M+NH4]+ 308.09827 178.2
[M+K]+ 329.02761 162.7
[M+H-H2O]+ 273.06171 154.2
[M+HCOO]- 335.06265 170.8
[M+CH3COO]- 349.07830 171.7
[M+Na-2H]- 311.03912 165.4
[M]+ 290.06390 163.1
[M]- 290.06500 163.1
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