CID 88996

Brn 1162953

Structural Information

Molecular Formula
C18H21ClN2O2S
SMILES
CN(C)CCCN1C2=C(C=CC(=C2)Cl)SC3=C1C(=C(C=C3)OC)O
InChI
InChI=1S/C18H21ClN2O2S/c1-20(2)9-4-10-21-13-11-12(19)5-7-15(13)24-16-8-6-14(23-3)18(22)17(16)21/h5-8,11,22H,4,9-10H2,1-3H3
InChIKey
VZQHGUSHUGPARZ-UHFFFAOYSA-N
Compound name
8-chloro-10-[3-(dimethylamino)propyl]-2-methoxyphenothiazin-1-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 182.5
[M+Na]+ 387.09045 197.0
[M+NH4]+ 382.13505 191.7
[M+K]+ 403.06439 186.4
[M-H]- 363.09395 186.5
[M+Na-2H]- 385.07590 187.6
[M]+ 364.10068 186.6
[M]- 364.10178 186.6
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.