CID 6479755

(3z)-4-(naphthalene-1-carbonyl)-3-[(3,4,5-trimethoxyphenyl)methylene]tetrahydrofuran-2-one

Structural Information

Molecular Formula
C25H22O6
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C\2/C(COC2=O)C(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H22O6/c1-28-21-12-15(13-22(29-2)24(21)30-3)11-19-20(14-31-25(19)27)23(26)18-10-6-8-16-7-4-5-9-17(16)18/h4-13,20H,14H2,1-3H3/b19-11-
InChIKey
LTNKWGXWTBLPCU-ODLFYWEKSA-N
Compound name
(3Z)-4-(naphthalene-1-carbonyl)-3-[(3,4,5-trimethoxyphenyl)methylidene]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.14163 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14891 199.1
[M+Na]+ 441.13085 206.5
[M-H]- 417.13435 210.7
[M+NH4]+ 436.17545 210.5
[M+K]+ 457.10479 203.7
[M+H-H2O]+ 401.13889 190.3
[M+HCOO]- 463.13983 218.2
[M+CH3COO]- 477.15548 227.1
[M+Na-2H]- 439.11630 197.7
[M]+ 418.14108 204.6
[M]- 418.14218 204.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.