CID 388523

3-phenylthieno[2,3-b]pyrrolizin-8-one

Structural Information

Molecular Formula
C15H9NOS
SMILES
C1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O
InChI
InChI=1S/C15H9NOS/c17-14-12-7-4-8-16(12)13-11(9-18-15(13)14)10-5-2-1-3-6-10/h1-9H
InChIKey
YYQSSUSYLXBUIE-UHFFFAOYSA-N
Compound name
3-phenylthieno[2,3-b]pyrrolizin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.04048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04776 156.5
[M+Na]+ 274.02970 170.6
[M-H]- 250.03320 166.7
[M+NH4]+ 269.07430 181.3
[M+K]+ 290.00364 165.9
[M+H-H2O]+ 234.03774 152.3
[M+HCOO]- 296.03868 178.8
[M+CH3COO]- 310.05433 171.9
[M+Na-2H]- 272.01515 157.4
[M]+ 251.03993 163.4
[M]- 251.04103 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.