CID 3072289

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

Structural Information

Molecular Formula
C21H18N2O3S
SMILES
C1COCCN1C(=O)C2=C3C4=C(CN3C(=O)C(=C2)C5=CC=CC=C5)C=CS4
InChI
InChI=1S/C21H18N2O3S/c24-20(22-7-9-26-10-8-22)17-12-16(14-4-2-1-3-5-14)21(25)23-13-15-6-11-27-19(15)18(17)23/h1-6,11-12H,7-10,13H2
InChIKey
AXTSZVLBKKQEOK-UHFFFAOYSA-N
Compound name
9-(morpholine-4-carbonyl)-7-phenyl-4H-thieno[2,3-a]indolizin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 187.3
[M+Na]+ 401.09304 196.3
[M-H]- 377.09654 197.6
[M+NH4]+ 396.13764 201.3
[M+K]+ 417.06698 191.9
[M+H-H2O]+ 361.10108 180.2
[M+HCOO]- 423.10202 199.7
[M+CH3COO]- 437.11767 197.8
[M+Na-2H]- 399.07849 185.3
[M]+ 378.10327 189.5
[M]- 378.10437 189.5
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