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
8
Annotation Hits

727
References

14372
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 169.5
[M+Na]+ 338.07406 178.1
[M-H]- 314.07756 175.7
[M+NH4]+ 333.11866 188.4
[M+K]+ 354.04800 171.3
[M+H-H2O]+ 298.08210 163.3
[M+HCOO]- 360.08304 181.3
[M+CH3COO]- 374.09869 180.9
[M+Na-2H]- 336.05951 173.0
[M]+ 315.08429 174.1
[M]- 315.08539 174.1
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.