CID 381510

Nsc668266

Structural Information

Molecular Formula
C22H18O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4
InChI
InChI=1S/C22H18O5/c1-14-10-20(23)26-19-11-17(8-9-18(14)19)25-13-22(12-15(2)21(24)27-22)16-6-4-3-5-7-16/h3-11H,2,12-13H2,1H3
InChIKey
KJPYCEDFWLXVBM-UHFFFAOYSA-N
Compound name
4-methyl-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

0
Patents

362.11542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12270 183.0
[M+Na]+ 385.10464 193.0
[M-H]- 361.10814 195.9
[M+NH4]+ 380.14924 197.6
[M+K]+ 401.07858 190.5
[M+H-H2O]+ 345.11268 175.1
[M+HCOO]- 407.11362 203.2
[M+CH3COO]- 421.12927 195.4
[M+Na-2H]- 383.09009 186.5
[M]+ 362.11487 187.5
[M]- 362.11597 187.5
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

No patent data available for this compound.