CID 15959102

(3z)-3-[(4-methoxyphenyl)methylene]-5-methyl-isobenzofuran-1-one

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=CC\2=C(C=C1)C(=O)O/C2=C\C3=CC=C(C=C3)OC
InChI
InChI=1S/C17H14O3/c1-11-3-8-14-15(9-11)16(20-17(14)18)10-12-4-6-13(19-2)7-5-12/h3-10H,1-2H3/b16-10-
InChIKey
XPEZHVNNXLXYHM-YBEGLDIGSA-N
Compound name
(3Z)-3-[(4-methoxyphenyl)methylidene]-5-methyl-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 158.8
[M+Na]+ 289.083518 168.8
[M-H]- 265.087024 167.9
[M+NH4]+ 284.128123 177.4
[M+K]+ 305.057458 165.4
[M+H-H2O]+ 249.091560 152.4
[M+HCOO]- 311.092501 181.5
[M+CH3COO]- 325.108151 197.4
[M+Na-2H]- 287.068966 162.8
[M]+ 266.09375142 162.1
[M]- 266.09484858 162.1
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.