CID 205161

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

Structural Information

Molecular Formula
C19H29NOS2
SMILES
CCCCN(CCCC)CCC(C1=CSC=C1)(C2=CSC=C2)O
InChI
InChI=1S/C19H29NOS2/c1-3-5-10-20(11-6-4-2)12-9-19(21,17-7-13-22-15-17)18-8-14-23-16-18/h7-8,13-16,21H,3-6,9-12H2,1-2H3
InChIKey
SIEJDUVVXMBXIB-UHFFFAOYSA-N
Compound name
3-(dibutylamino)-1,1-di(thiophen-3-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16907 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17635 188.2
[M+Na]+ 374.15829 194.0
[M-H]- 350.16179 194.5
[M+NH4]+ 369.20289 205.6
[M+K]+ 390.13223 189.0
[M+H-H2O]+ 334.16633 181.6
[M+HCOO]- 396.16727 202.2
[M+CH3COO]- 410.18292 212.7
[M+Na-2H]- 372.14374 185.4
[M]+ 351.16852 195.3
[M]- 351.16962 195.3
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.