CID 6444659

1-(3-dibenzo(b,e)thiepin-11(6h)-ylidenepropyl)-4-phenylpiperidine hydrochloride

Structural Information

Molecular Formula
C28H29NS
SMILES
C1CN(CCC1C2=CC=CC=C2)CC/C=C/3\C4=CC=CC=C4CSC5=CC=CC=C53
InChI
InChI=1S/C28H29NS/c1-2-9-22(10-3-1)23-16-19-29(20-17-23)18-8-14-26-25-12-5-4-11-24(25)21-30-28-15-7-6-13-27(26)28/h1-7,9-15,23H,8,16-21H2/b26-14+
InChIKey
TVLPGQJHAOQJRS-VULFUBBASA-N
Compound name
1-[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.20206 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.20934 203.9
[M+Na]+ 434.19128 218.0
[M+NH4]+ 429.23588 213.6
[M+K]+ 450.16522 205.3
[M-H]- 410.19478 211.9
[M+Na-2H]- 432.17673 212.3
[M]+ 411.20151 209.1
[M]- 411.20261 209.1
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.