CID 114323

7-hydroxy-8-methoxychlorpromazine

Structural Information

Molecular Formula
C18H21ClN2O2S
SMILES
CN(C)CCCN1C2=C(C=CC(=C2)Cl)SC3=CC(=CC(=C31)OC)O
InChI
InChI=1S/C18H21ClN2O2S/c1-20(2)7-4-8-21-14-9-12(19)5-6-16(14)24-17-11-13(22)10-15(23-3)18(17)21/h5-6,9-11,22H,4,7-8H2,1-3H3
InChIKey
NQBIIZCLITWWOH-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]-1-methoxyphenothiazin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.10123 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10851 180.7
[M+Na]+ 387.09045 189.6
[M-H]- 363.09395 184.6
[M+NH4]+ 382.13505 195.8
[M+K]+ 403.06439 183.9
[M+H-H2O]+ 347.09849 173.9
[M+HCOO]- 409.09943 189.7
[M+CH3COO]- 423.11508 219.3
[M+Na-2H]- 385.07590 183.0
[M]+ 364.10068 188.4
[M]- 364.10178 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.