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 194.7
[M+Na]+ 415.10870 204.5
[M-H]- 391.11220 205.6
[M+NH4]+ 410.15330 211.7
[M+K]+ 431.08264 199.7
[M+H-H2O]+ 375.11674 188.8
[M+HCOO]- 437.11768 209.8
[M+CH3COO]- 451.13333 205.6
[M+Na-2H]- 413.09415 189.2
[M]+ 392.11893 199.7
[M]- 392.12003 199.7
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