CID 385455

3-(4-methoxyphenyl)-8h-thieno[2,3-b]pyrrolizin-8-one

Structural Information

Molecular Formula
C16H11NO2S
SMILES
COC1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O
InChI
InChI=1S/C16H11NO2S/c1-19-11-6-4-10(5-7-11)12-9-20-16-14(12)17-8-2-3-13(17)15(16)18/h2-9H,1H3
InChIKey
STBQKICVQXGVLM-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)thieno[2,3-b]pyrrolizin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

281.05106 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05834 164.4
[M+Na]+ 304.04028 178.5
[M-H]- 280.04378 174.8
[M+NH4]+ 299.08488 188.2
[M+K]+ 320.01422 174.1
[M+H-H2O]+ 264.04832 160.3
[M+HCOO]- 326.04926 186.5
[M+CH3COO]- 340.06491 179.5
[M+Na-2H]- 302.02573 164.4
[M]+ 281.05051 173.3
[M]- 281.05161 173.3
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.