CID 6435541

Brn 1350782

Structural Information

Molecular Formula
C19H20ClNS
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C19H20ClNS/c1-21(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(20)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3/b17-8+
InChIKey
DLJBOZHCEAEORP-CAOOACKPSA-N
Compound name
(3E)-3-(2-chloro-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

329.1005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10778 173.2
[M+Na]+ 352.08972 186.1
[M+NH4]+ 347.13432 183.2
[M+K]+ 368.06366 175.7
[M-H]- 328.09322 178.3
[M+Na-2H]- 350.07517 179.8
[M]+ 329.09995 177.5
[M]- 329.10105 177.5
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.