CID 908516

(2z)-2-(3,4-dimethoxybenzylidene)-6-hydroxy-1-benzofuran-3(2h)-one

Structural Information

Molecular Formula
C17H14O5
SMILES
COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O)OC
InChI
InChI=1S/C17H14O5/c1-20-13-6-3-10(7-15(13)21-2)8-16-17(19)12-5-4-11(18)9-14(12)22-16/h3-9,18H,1-2H3/b16-8-
InChIKey
YUCCNWHJQXNUQE-PXNMLYILSA-N
Compound name
(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

298.08414 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09142 164.8
[M+Na]+ 321.07336 174.9
[M-H]- 297.07686 172.9
[M+NH4]+ 316.11796 181.4
[M+K]+ 337.04730 172.0
[M+H-H2O]+ 281.08140 158.5
[M+HCOO]- 343.08234 186.3
[M+CH3COO]- 357.09799 200.7
[M+Na-2H]- 319.05881 168.0
[M]+ 298.08359 169.6
[M]- 298.08469 169.6
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

patents stripe