CID 125358

7,8-dhddm-chlorpromazine

Structural Information

Molecular Formula
C15H15ClN2O2S
SMILES
C1=CC2=C(C=C1Cl)N(C3=CC(=C(C=C3S2)O)O)CCCN
InChI
InChI=1S/C15H15ClN2O2S/c16-9-2-3-14-10(6-9)18(5-1-4-17)11-7-12(19)13(20)8-15(11)21-14/h2-3,6-8,19-20H,1,4-5,17H2
InChIKey
DGBZHMALEIDADV-UHFFFAOYSA-N
Compound name
10-(3-aminopropyl)-8-chlorophenothiazine-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.0543 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06158 166.8
[M+Na]+ 345.04352 176.8
[M-H]- 321.04702 168.0
[M+NH4]+ 340.08812 182.3
[M+K]+ 361.01746 169.2
[M+H-H2O]+ 305.05156 161.6
[M+HCOO]- 367.05250 174.5
[M+CH3COO]- 381.06815 177.0
[M+Na-2H]- 343.02897 170.2
[M]+ 322.05375 169.7
[M]- 322.05485 169.7
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.