CID 6857956

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

Structural Information

Molecular Formula
C21H25NS
SMILES
CCC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C21H25NS/c1-4-16-11-12-21-20(14-16)19(10-7-13-22(2)3)18-9-6-5-8-17(18)15-23-21/h5-6,8-12,14H,4,7,13,15H2,1-3H3/b19-10-
InChIKey
QIBJBRRTTQQECA-GRSHGNNSSA-N
Compound name
(3Z)-3-(2-ethyl-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

323.17078 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17806 176.1
[M+Na]+ 346.16000 187.8
[M+NH4]+ 341.20460 185.6
[M+K]+ 362.13394 177.8
[M-H]- 322.16350 181.2
[M+Na-2H]- 344.14545 182.1
[M]+ 323.17023 179.9
[M]- 323.17133 179.9
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.