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]+ 302.076456 165.0
[M+Na]+ 324.058398 174.0
[M-H]- 300.061904 171.4
[M+NH4]+ 319.103003 184.4
[M+K]+ 340.032338 167.5
[M+H-H2O]+ 284.066440 159.0
[M+HCOO]- 346.067381 177.1
[M+CH3COO]- 360.083031 176.8
[M+Na-2H]- 322.043846 169.0
[M]+ 301.06863142 169.3
[M]- 301.06972858 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.