CID 3072292

Pyrrolidine, 1-((4,6-dihydro-6-oxo-7-phenylthieno(2,3-a)indolizin-9-yl)carbonyl)-3-methoxy-, (s)-

Structural Information

Molecular Formula
C22H20N2O3S
SMILES
CO[C@H]1CCN(C1)C(=O)C2=C3C4=C(CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4
InChI
InChI=1S/C22H20N2O3S/c1-27-16-7-9-23(13-16)21(25)18-11-17(14-5-3-2-4-6-14)22(26)24-12-15-8-10-28-20(15)19(18)24/h2-6,8,10-11,16H,7,9,12-13H2,1H3/t16-/m0/s1
InChIKey
CCHXLTPJZLMMTQ-INIZCTEOSA-N
Compound name
9-[(3S)-3-methoxypyrrolidine-1-carbonyl]-7-phenyl-4H-thieno[2,3-a]indolizin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

392.11948 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12676 191.1
[M+Na]+ 415.10870 203.5
[M+NH4]+ 410.15330 199.4
[M+K]+ 431.08264 199.8
[M-H]- 391.11220 195.8
[M+Na-2H]- 413.09415 196.0
[M]+ 392.11893 194.6
[M]- 392.12003 194.6
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

patents stripe