CID 62926

5979-00-0

Structural Information

Molecular Formula
C21H18O5
SMILES
CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)OC(=O)C
InChI
InChI=1S/C21H18O5/c1-13(22)12-17(15-8-4-3-5-9-15)19-20(25-14(2)23)16-10-6-7-11-18(16)26-21(19)24/h3-11,17H,12H2,1-2H3
InChIKey
AZJMOTKZYSVMRV-UHFFFAOYSA-N
Compound name
[2-oxo-3-(3-oxo-1-phenylbutyl)chromen-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

350.11542 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 178.8
[M+Na]+ 373.10464 193.5
[M+NH4]+ 368.14924 185.4
[M+K]+ 389.07858 187.3
[M-H]- 349.10814 183.6
[M+Na-2H]- 371.09009 185.6
[M]+ 350.11487 182.3
[M]- 350.11597 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