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

14459
Patents

315.08484 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.092116 169.5
[M+Na]+ 338.074058 178.1
[M-H]- 314.077564 175.7
[M+NH4]+ 333.118663 188.4
[M+K]+ 354.047998 171.3
[M+H-H2O]+ 298.082100 163.3
[M+HCOO]- 360.083041 181.3
[M+CH3COO]- 374.098691 180.9
[M+Na-2H]- 336.059506 173.0
[M]+ 315.08429142 174.1
[M]- 315.08538858 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

literature stripe

Patent stripe

patents stripe