CID 381509

Nsc668265

Structural Information

Molecular Formula
C21H16O5
SMILES
C=C1CC(OC1=O)(COC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=CC=C4
InChI
InChI=1S/C21H16O5/c1-14-12-21(26-20(14)23,16-5-3-2-4-6-16)13-24-17-9-7-15-8-10-19(22)25-18(15)11-17/h2-11H,1,12-13H2
InChIKey
RDEUUWUFJSOERA-UHFFFAOYSA-N
Compound name
7-[(4-methylidene-5-oxo-2-phenyloxolan-2-yl)methoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.09976 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.10704 178.6
[M+Na]+ 371.08898 188.2
[M-H]- 347.09248 191.3
[M+NH4]+ 366.13358 193.5
[M+K]+ 387.06292 185.8
[M+H-H2O]+ 331.09702 170.7
[M+HCOO]- 393.09796 199.2
[M+CH3COO]- 407.11361 191.1
[M+Na-2H]- 369.07443 183.2
[M]+ 348.09921 182.3
[M]- 348.10031 182.3
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

patents stripe