CID 24846997

94379-58-5

Structural Information

Molecular Formula
C19H22ClNS
SMILES
CC(C)NCCCC1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNS/c1-13(2)21-11-5-7-15-16-6-3-4-8-18(16)22-19-10-9-14(20)12-17(15)19/h3-4,6,8-10,12-13,15,21H,5,7,11H2,1-2H3
InChIKey
TWUKTRTXXYVBSD-UHFFFAOYSA-N
Compound name
3-(2-chloro-9H-thioxanthen-9-yl)-N-propan-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.11615 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12343 173.9
[M+Na]+ 354.10537 181.2
[M-H]- 330.10887 178.3
[M+NH4]+ 349.14997 191.4
[M+K]+ 370.07931 173.9
[M+H-H2O]+ 314.11341 167.8
[M+HCOO]- 376.11435 183.6
[M+CH3COO]- 390.13000 184.1
[M+Na-2H]- 352.09082 176.6
[M]+ 331.11560 177.8
[M]- 331.11670 177.8
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.