CID 54691184

2-benzyl-1-hydroxy-5-phenyl-9,10-dihydro-8h-pyrano[2,3-g]indolizine-3,6-dione

Structural Information

Molecular Formula
C24H19NO4
SMILES
C1CC2=C3C(=C(C(=O)OC3=C(C(=O)N2C1)C4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C24H19NO4/c26-21-17(14-15-8-3-1-4-9-15)24(28)29-22-19(16-10-5-2-6-11-16)23(27)25-13-7-12-18(25)20(21)22/h1-6,8-11,26H,7,12-14H2
InChIKey
FSNALGITLODEBJ-UHFFFAOYSA-N
Compound name
2-benzyl-1-hydroxy-5-phenyl-9,10-dihydro-8H-pyrano[2,3-g]indolizine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1314 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13868 191.0
[M+Na]+ 408.12062 201.0
[M-H]- 384.12412 201.5
[M+NH4]+ 403.16522 202.7
[M+K]+ 424.09456 195.2
[M+H-H2O]+ 368.12866 181.2
[M+HCOO]- 430.12960 208.9
[M+CH3COO]- 444.14525 201.6
[M+Na-2H]- 406.10607 193.5
[M]+ 385.13085 193.3
[M]- 385.13195 193.3
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.