CID 125595

7,8-doddm-chlorpromazine

Structural Information

Molecular Formula
C15H13ClN2O2S
SMILES
C1=CC2=C(C=C1Cl)N(C3=CC(=O)C(=O)C=C3S2)CCCN
InChI
InChI=1S/C15H13ClN2O2S/c16-9-2-3-14-10(6-9)18(5-1-4-17)11-7-12(19)13(20)8-15(11)21-14/h2-3,6-8H,1,4-5,17H2
InChIKey
FOIPWUQXKDKYMY-UHFFFAOYSA-N
Compound name
10-(3-aminopropyl)-8-chlorophenothiazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.03864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04592 166.7
[M+Na]+ 343.02786 179.1
[M-H]- 319.03136 171.1
[M+NH4]+ 338.07246 183.6
[M+K]+ 359.00180 171.7
[M+H-H2O]+ 303.03590 160.6
[M+HCOO]- 365.03684 179.0
[M+CH3COO]- 379.05249 178.7
[M+Na-2H]- 341.01331 171.4
[M]+ 320.03809 173.1
[M]- 320.03919 173.1
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

No patent data available for this compound.