CID 6446668

N 762 (cis)

Structural Information

Molecular Formula
C17H16ClNS
SMILES
CN(C)C/C=C/1\C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C17H16ClNS/c1-19(2)10-9-13-14-5-3-4-6-16(14)20-17-8-7-12(18)11-15(13)17/h3-9,11H,10H2,1-2H3/b13-9+
InChIKey
CPXXVOZJQNCOMZ-UKTHLTGXSA-N
Compound name
(2E)-2-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.06918 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07646 165.0
[M+Na]+ 324.05840 174.0
[M-H]- 300.06190 171.4
[M+NH4]+ 319.10300 184.4
[M+K]+ 340.03234 167.5
[M+H-H2O]+ 284.06644 159.0
[M+HCOO]- 346.06738 177.1
[M+CH3COO]- 360.08303 176.8
[M+Na-2H]- 322.04385 169.0
[M]+ 301.06863 169.3
[M]- 301.06973 169.3
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

No patent data available for this compound.