CID 3045427

Quinuclidine, 3-(di-2-thienylmethylene)-

Structural Information

Molecular Formula
C16H17NS2
SMILES
C1CN2CCC1C(=C(C3=CC=CS3)C4=CC=CS4)C2
InChI
InChI=1S/C16H17NS2/c1-3-14(18-9-1)16(15-4-2-10-19-15)13-11-17-7-5-12(13)6-8-17/h1-4,9-10,12H,5-8,11H2
InChIKey
GRWRDMJGSSQQKC-UHFFFAOYSA-N
Compound name
3-(dithiophen-2-ylmethylidene)-1-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08751 158.7
[M+Na]+ 310.06945 165.5
[M-H]- 286.07295 160.9
[M+NH4]+ 305.11405 182.3
[M+K]+ 326.04339 161.7
[M+H-H2O]+ 270.07749 155.7
[M+HCOO]- 332.07843 164.0
[M+CH3COO]- 346.09408 169.2
[M+Na-2H]- 308.05490 162.7
[M]+ 287.07968 163.4
[M]- 287.08078 163.4
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.