CID 6857959

68263-38-7

Structural Information

Molecular Formula
C19H19Cl2NS
SMILES
CN(C)CC/C=C\1/C2=C(CSC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl
InChI
InChI=1S/C19H19Cl2NS/c1-22(2)9-3-4-16-17-10-14(20)6-5-13(17)12-23-19-8-7-15(21)11-18(16)19/h4-8,10-11H,3,9,12H2,1-2H3/b16-4-
InChIKey
MADSPINSTFSVIB-XRVIQIRUSA-N
Compound name
(3Z)-3-(2,9-dichloro-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.06152 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.06880 180.1
[M+Na]+ 386.05074 189.1
[M-H]- 362.05424 186.6
[M+NH4]+ 381.09534 197.0
[M+K]+ 402.02468 186.4
[M+H-H2O]+ 346.05878 175.4
[M+HCOO]- 408.05972 187.0
[M+CH3COO]- 422.07537 190.4
[M+Na-2H]- 384.03619 181.4
[M]+ 363.06097 183.1
[M]- 363.06207 183.1
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.