CID 6445825

N,n-dimethyl-3-thieno(3,2-c)(2)benzothiepin-10(5h)-ylidene-1-propanamine hydrochloride

Structural Information

Molecular Formula
C17H19NS2
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=C1SC=C3
InChI
InChI=1S/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-16-9-11-19-17(15)16/h3-4,6-9,11H,5,10,12H2,1-2H3/b15-8+
InChIKey
UHWBCOPIHIEEJS-OVCLIPMQSA-N
Compound name
(3E)-N,N-dimethyl-3-(5H-thieno[3,2-c][2]benzothiepin-10-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0959 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10318 166.8
[M+Na]+ 324.08512 176.4
[M+NH4]+ 319.12972 176.7
[M+K]+ 340.05906 167.5
[M-H]- 300.08862 171.1
[M+Na-2H]- 322.07057 171.4
[M]+ 301.09535 170.4
[M]- 301.09645 170.4
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.