CID 54691181

Dtxsid101132491

Structural Information

Molecular Formula
C18H15NO4
SMILES
C1CC2=CC3=C(C(=C(C(=O)O3)CC4=CC=CC=C4)O)C(=O)N2C1
InChI
InChI=1S/C18H15NO4/c20-16-13(9-11-5-2-1-3-6-11)18(22)23-14-10-12-7-4-8-19(12)17(21)15(14)16/h1-3,5-6,10,20H,4,7-9H2
InChIKey
IKYFNITZBKDFDW-UHFFFAOYSA-N
Compound name
3-benzyl-4-hydroxy-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

309.1001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 167.9
[M+Na]+ 332.08932 178.8
[M-H]- 308.09282 175.5
[M+NH4]+ 327.13392 183.4
[M+K]+ 348.06326 174.3
[M+H-H2O]+ 292.09736 160.2
[M+HCOO]- 354.09830 187.0
[M+CH3COO]- 368.11395 180.2
[M+Na-2H]- 330.07477 172.7
[M]+ 309.09955 170.8
[M]- 309.10065 170.8
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.