CID 3072290

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

Structural Information

Molecular Formula
C21H18N2O3S
SMILES
COC1CN(C1)C(=O)C2=C3C4=C(CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4
InChI
InChI=1S/C21H18N2O3S/c1-26-15-11-22(12-15)20(24)17-9-16(13-5-3-2-4-6-13)21(25)23-10-14-7-8-27-19(14)18(17)23/h2-9,15H,10-12H2,1H3
InChIKey
OYWLTBJAIQXPSY-UHFFFAOYSA-N
Compound name
9-(3-methoxyazetidine-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

378.10382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11110 183.1
[M+Na]+ 401.09304 191.2
[M-H]- 377.09654 192.8
[M+NH4]+ 396.13764 192.3
[M+K]+ 417.06698 189.4
[M+H-H2O]+ 361.10108 170.6
[M+HCOO]- 423.10202 197.0
[M+CH3COO]- 437.11767 193.5
[M+Na-2H]- 399.07849 180.4
[M]+ 378.10327 197.0
[M]- 378.10437 197.0
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