CID 6857984

Dibenzo(b,e)thiepin-delta(sup 11(6h),gamma)propylamine, 2-bromo-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C19H20BrNS
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=C1C=C(C=C3)Br
InChI
InChI=1S/C19H20BrNS/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
YZJCPSMIGRQQRQ-IUXPMGMMSA-N
Compound name
(3Z)-3-(2-bromo-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

373.05 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.05728 161.0
[M+Na]+ 396.03922 164.3
[M+NH4]+ 391.08382 167.1
[M+K]+ 412.01316 161.6
[M-H]- 372.04272 164.2
[M+Na-2H]- 394.02467 165.2
[M]+ 373.04945 161.9
[M]- 373.05055 161.9
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.