CID 55300

3-(3-dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate

Structural Information

Molecular Formula
C25H27NS
SMILES
CN(C)CCCC1=CC2=C(C=C1)C(C3=CC=CC=C3CS2)C4=CC=CC=C4
InChI
InChI=1S/C25H27NS/c1-26(2)16-8-9-19-14-15-23-24(17-19)27-18-21-12-6-7-13-22(21)25(23)20-10-4-3-5-11-20/h3-7,10-15,17,25H,8-9,16,18H2,1-2H3
InChIKey
VBZPWRCSGSMLTF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.18643 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19371 190.8
[M+Na]+ 396.17565 204.4
[M+NH4]+ 391.22025 200.9
[M+K]+ 412.14959 193.0
[M-H]- 372.17915 198.5
[M+Na-2H]- 394.16110 199.5
[M]+ 373.18588 195.9
[M]- 373.18698 195.9
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.