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

literature stripe

Patent stripe

patents stripe