CID 205167

1-propanol, 1,1-di(thien-3-yl)-3-(hexahydro-1-azepinyl)-, hydrobromide

Structural Information

Molecular Formula
C17H23NOS2
SMILES
C1CCCN(CC1)CCC(C2=CSC=C2)(C3=CSC=C3)O
InChI
InChI=1S/C17H23NOS2/c19-17(15-5-11-20-13-15,16-6-12-21-14-16)7-10-18-8-3-1-2-4-9-18/h5-6,11-14,19H,1-4,7-10H2
InChIKey
PAMGRHJJOKTPME-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1221 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12938 177.6
[M+Na]+ 344.11132 185.3
[M+NH4]+ 339.15592 185.6
[M+K]+ 360.08526 179.4
[M-H]- 320.11482 181.4
[M+Na-2H]- 342.09677 183.0
[M]+ 321.12155 180.7
[M]- 321.12265 180.7
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.