CID 3047976

63869-60-3

Structural Information

Molecular Formula
C18H20ClNS
SMILES
CN(C)CCCC1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H20ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6,8-10,12,14H,5,7,11H2,1-2H3
InChIKey
NFAPJRVDUBTJLV-UHFFFAOYSA-N
Compound name
3-(2-chloro-9H-thioxanthen-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.1005 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10778 170.6
[M+Na]+ 340.08972 186.1
[M+NH4]+ 335.13432 182.2
[M+K]+ 356.06366 173.6
[M-H]- 316.09322 176.8
[M+Na-2H]- 338.07517 178.1
[M]+ 317.09995 175.7
[M]- 317.10105 175.7
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

patents stripe