CID 978432

7-(2-([1,1'-biphenyl]-4-yl)-2-oxoethoxy)-3,4-dimethyl-2h-chromen-2-one

Structural Information

Molecular Formula
C25H20O4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C25H20O4/c1-16-17(2)25(27)29-24-14-21(12-13-22(16)24)28-15-23(26)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3
InChIKey
HDRICXMVJMIEPN-UHFFFAOYSA-N
Compound name
3,4-dimethyl-7-[2-oxo-2-(4-phenylphenyl)ethoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13617 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.143446 193.2
[M+Na]+ 407.125388 202.0
[M-H]- 383.128894 204.9
[M+NH4]+ 402.169993 204.0
[M+K]+ 423.099328 197.9
[M+H-H2O]+ 367.133430 182.6
[M+HCOO]- 429.134371 213.6
[M+CH3COO]- 443.150021 204.1
[M+Na-2H]- 405.110836 196.4
[M]+ 384.13562142 197.9
[M]- 384.13671858 197.9
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.