CID 6857957

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

Structural Information

Molecular Formula
C23H29NS
SMILES
CCCCC1=CC\2=C(C=C1)SCC3=CC=CC=C3/C2=C/CCN(C)C
InChI
InChI=1S/C23H29NS/c1-4-5-9-18-13-14-23-22(16-18)21(12-8-15-24(2)3)20-11-7-6-10-19(20)17-25-23/h6-7,10-14,16H,4-5,8-9,15,17H2,1-3H3/b21-12-
InChIKey
NXTCZYQPWZPGBH-MTJSOVHGSA-N
Compound name
(3Z)-3-(2-butyl-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

351.20206 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20934 184.6
[M+Na]+ 374.19128 195.9
[M+NH4]+ 369.23588 193.8
[M+K]+ 390.16522 185.5
[M-H]- 350.19478 189.6
[M+Na-2H]- 372.17673 190.1
[M]+ 351.20151 188.4
[M]- 351.20261 188.4
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.