CID 6433785

Trans-n,2-dimethyldibenzo(b,e)thiepin(sup 11(6h),gamma)-propylamine hydrochloride

Structural Information

Molecular Formula
C19H21NS
SMILES
CC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C\CCNC
InChI
InChI=1S/C19H21NS/c1-14-9-10-19-18(12-14)17(8-5-11-20-2)16-7-4-3-6-15(16)13-21-19/h3-4,6-10,12,20H,5,11,13H2,1-2H3/b17-8+
InChIKey
ZHWBZISWDPBKOY-CAOOACKPSA-N
Compound name
(3E)-N-methyl-3-(2-methyl-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13947 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14675 167.7
[M+Na]+ 318.12869 179.7
[M+NH4]+ 313.17329 177.3
[M+K]+ 334.10263 169.6
[M-H]- 294.13219 172.6
[M+Na-2H]- 316.11414 174.0
[M]+ 295.13892 171.5
[M]- 295.14002 171.5
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.