CID 375234

Nsc654623

Structural Information

Molecular Formula
C25H24O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C)OCCCOC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C
InChI
InChI=1S/C25H24O6/c1-14-12-22(26)30-24-16(3)20(8-6-18(14)24)28-10-5-11-29-21-9-7-19-15(2)13-23(27)31-25(19)17(21)4/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey
VYEHRAYYXSMDJC-UHFFFAOYSA-N
Compound name
7-[3-(4,8-dimethyl-2-oxochromen-7-yl)oxypropoxy]-4,8-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1573 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 202.9
[M+Na]+ 443.14652 215.3
[M-H]- 419.15002 214.3
[M+NH4]+ 438.19112 213.2
[M+K]+ 459.12046 213.4
[M+H-H2O]+ 403.15456 192.4
[M+HCOO]- 465.15550 223.2
[M+CH3COO]- 479.17115 231.8
[M+Na-2H]- 441.13197 207.3
[M]+ 420.15675 215.6
[M]- 420.15785 215.6
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.