CID 6444978

Cis-2-hydroxyprothixene hydrochloride

Structural Information

Molecular Formula
C18H19NOS
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)O
InChI
InChI=1S/C18H19NOS/c1-19(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(20)12-16(14)18/h3-4,6-10,12,20H,5,11H2,1-2H3/b14-7+
InChIKey
WXUCJSSCXUJYNI-VGOFMYFVSA-N
Compound name
(9E)-9-[3-(dimethylamino)propylidene]thioxanthen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11874 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12602 166.8
[M+Na]+ 320.10796 180.5
[M+NH4]+ 315.15256 177.0
[M+K]+ 336.08190 169.6
[M-H]- 296.11146 171.7
[M+Na-2H]- 318.09341 173.2
[M]+ 297.11819 170.8
[M]- 297.11929 170.8
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.