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]+ 267.10158 158.8
[M+Na]+ 289.08352 168.8
[M-H]- 265.08702 167.9
[M+NH4]+ 284.12812 177.4
[M+K]+ 305.05746 165.4
[M+H-H2O]+ 249.09156 152.4
[M+HCOO]- 311.09250 181.5
[M+CH3COO]- 325.10815 197.4
[M+Na-2H]- 287.06897 162.8
[M]+ 266.09375 162.1
[M]- 266.09485 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.