CID 19825

8-hydroxychlorpromazine

Structural Information

Molecular Formula
C17H19ClN2OS
SMILES
CN(C)CCCN1C2=C(C=CC(=C2)O)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2OS/c1-19(2)8-3-9-20-14-10-12(18)4-6-16(14)22-17-7-5-13(21)11-15(17)20/h4-7,10-11,21H,3,8-9H2,1-2H3
InChIKey
UBUDVAYGFVRZCO-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]phenothiazin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

334.09067 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09795 174.4
[M+Na]+ 357.07989 189.2
[M+NH4]+ 352.12449 184.4
[M+K]+ 373.05383 178.1
[M-H]- 333.08339 178.8
[M+Na-2H]- 355.06534 180.4
[M]+ 334.09012 178.7
[M]- 334.09122 178.7
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

patents stripe