CID 54691182

4-hydroxy-3-phenyl-6,7,8-trihydro-2h-pyrano[5,6-f]indolizine-2,5-dione

Structural Information

Molecular Formula
C17H13NO4
SMILES
C1CC2=CC3=C(C(=C(C(=O)O3)C4=CC=CC=C4)O)C(=O)N2C1
InChI
InChI=1S/C17H13NO4/c19-15-13(10-5-2-1-3-6-10)17(21)22-12-9-11-7-4-8-18(11)16(20)14(12)15/h1-3,5-6,9,19H,4,7-8H2
InChIKey
RTWXLTVZCUXSJX-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-8,9-dihydro-7H-pyrano[3,2-f]indolizine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 163.2
[M+Na]+ 318.07369 174.5
[M-H]- 294.07719 171.0
[M+NH4]+ 313.11829 179.3
[M+K]+ 334.04763 170.2
[M+H-H2O]+ 278.08173 155.7
[M+HCOO]- 340.08267 182.7
[M+CH3COO]- 354.09832 176.0
[M+Na-2H]- 316.05914 168.5
[M]+ 295.08392 165.8
[M]- 295.08502 165.8
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.