CID 205163

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

Structural Information

Molecular Formula
C15H19NOS2
SMILES
C1CCN(C1)CCC(C2=CSC=C2)(C3=CSC=C3)O
InChI
InChI=1S/C15H19NOS2/c17-15(13-3-9-18-11-13,14-4-10-19-12-14)5-8-16-6-1-2-7-16/h3-4,9-12,17H,1-2,5-8H2
InChIKey
WTVKZMMAXAVHSF-UHFFFAOYSA-N
Compound name
3-pyrrolidin-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

293.09082 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09810 170.2
[M+Na]+ 316.08004 178.9
[M-H]- 292.08354 178.4
[M+NH4]+ 311.12464 190.2
[M+K]+ 332.05398 174.9
[M+H-H2O]+ 276.08808 165.4
[M+HCOO]- 338.08902 183.3
[M+CH3COO]- 352.10467 182.0
[M+Na-2H]- 314.06549 166.9
[M]+ 293.09027 172.5
[M]- 293.09137 172.5
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.