CID 37607

37014-83-8

Structural Information

Molecular Formula
C21H27NS
SMILES
CN(C)CCCC1(CCCSC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H27NS/c1-22(2)16-8-14-21(18-10-4-3-5-11-18)15-9-17-23-20-13-7-6-12-19(20)21/h3-7,10-13H,8-9,14-17H2,1-2H3
InChIKey
SVATYDGEXGKKGI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(5-phenyl-3,4-dihydro-2H-1-benzothiepin-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18643 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19371 176.7
[M+Na]+ 348.17565 187.8
[M+NH4]+ 343.22025 187.5
[M+K]+ 364.14959 176.4
[M-H]- 324.17915 183.1
[M+Na-2H]- 346.16110 186.2
[M]+ 325.18588 181.0
[M]- 325.18698 181.0
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.