CID 6857958

Dibenzo(b,e)thiepin-delta(sup 11(6h),gamma)propylamine, n,n,4-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C20H23NS
SMILES
CC1=C2C(=CC=C1)/C(=C\CCN(C)C)/C3=CC=CC=C3CS2
InChI
InChI=1S/C20H23NS/c1-15-8-6-11-19-18(12-7-13-21(2)3)17-10-5-4-9-16(17)14-22-20(15)19/h4-6,8-12H,7,13-14H2,1-3H3/b18-12-
InChIKey
GIJIADXYCFTTJY-PDGQHHTCSA-N
Compound name
(3Z)-N,N-dimethyl-3-(4-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

309.15512 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.162396 172.5
[M+Na]+ 332.144338 177.8
[M-H]- 308.147844 179.6
[M+NH4]+ 327.188943 189.6
[M+K]+ 348.118278 176.9
[M+H-H2O]+ 292.152380 167.1
[M+HCOO]- 354.153321 187.7
[M+CH3COO]- 368.168971 182.9
[M+Na-2H]- 330.129786 174.8
[M]+ 309.15457142 172.3
[M]- 309.15566858 172.3
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.