CID 667467

Chlorprothixene

Structural Information

Molecular Formula
C18H18ClNS
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
InChIKey
WSPOMRSOLSGNFJ-AUWJEWJLSA-N
Compound name
(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

727
References

13718
Patents

315.08484 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09212 170.1
[M+Na]+ 338.07406 185.7
[M+NH4]+ 333.11866 181.5
[M+K]+ 354.04800 173.1
[M-H]- 314.07756 176.0
[M+Na-2H]- 336.05951 177.5
[M]+ 315.08429 175.1
[M]- 315.08539 175.1
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