CID 205159

1-propanol, 3-(dipropylamino)-1,1-di(thien-3-yl)-, hydrobromide

Structural Information

Molecular Formula
C17H25NOS2
SMILES
CCCN(CCC)CCC(C1=CSC=C1)(C2=CSC=C2)O
InChI
InChI=1S/C17H25NOS2/c1-3-8-18(9-4-2)10-7-17(19,15-5-11-20-13-15)16-6-12-21-14-16/h5-6,11-14,19H,3-4,7-10H2,1-2H3
InChIKey
NBCWGWLMEPHIGL-UHFFFAOYSA-N
Compound name
3-(dipropylamino)-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13776 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14504 179.9
[M+Na]+ 346.12698 186.6
[M-H]- 322.13048 186.6
[M+NH4]+ 341.17158 198.4
[M+K]+ 362.10092 182.0
[M+H-H2O]+ 306.13502 173.6
[M+HCOO]- 368.13596 194.5
[M+CH3COO]- 382.15161 206.9
[M+Na-2H]- 344.11243 177.9
[M]+ 323.13721 186.3
[M]- 323.13831 186.3
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.