CID 370924

Nsc644730

Structural Information

Molecular Formula
C24H20O5
SMILES
COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H20O5/c1-27-17-11-7-15(8-12-17)21(23(25)16-9-13-18(28-2)14-10-16)22-19-5-3-4-6-20(19)29-24(22)26/h3-14,21-22H,1-2H3
InChIKey
MZLRPXKKFRFKOM-UHFFFAOYSA-N
Compound name
3-[1,2-bis(4-methoxyphenyl)-2-oxoethyl]-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13835 192.1
[M+Na]+ 411.12029 198.7
[M-H]- 387.12379 203.5
[M+NH4]+ 406.16489 204.2
[M+K]+ 427.09423 196.1
[M+H-H2O]+ 371.12833 183.2
[M+HCOO]- 433.12927 211.6
[M+CH3COO]- 447.14492 221.2
[M+Na-2H]- 409.10574 192.0
[M]+ 388.13052 196.5
[M]- 388.13162 196.5
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.