CID 6433823

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

Structural Information

Molecular Formula
C20H23NS
SMILES
CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CCN(C)C
InChI
InChI=1S/C20H23NS/c1-15-10-11-20-19(13-15)18(9-6-12-21(2)3)17-8-5-4-7-16(17)14-22-20/h4-5,7-11,13H,6,12,14H2,1-3H3/b18-9+
InChIKey
XWRKGMIKFODBDS-GIJQJNRQSA-N
Compound name
(3E)-N,N-dimethyl-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.15512 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16240 171.9
[M+Na]+ 332.14434 183.8
[M+NH4]+ 327.18894 181.5
[M+K]+ 348.11828 174.0
[M-H]- 308.14784 176.9
[M+Na-2H]- 330.12979 178.1
[M]+ 309.15457 175.7
[M]- 309.15567 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.