CID 168010278

Nostoclide n2

Structural Information

Molecular Formula
C20H18O4
SMILES
CC\1=C(C(=O)O/C1=C\C2=CC(=C(C=C2)O)OC)CC3=CC=CC=C3
InChI
InChI=1S/C20H18O4/c1-13-16(10-14-6-4-3-5-7-14)20(22)24-18(13)11-15-8-9-17(21)19(12-15)23-2/h3-9,11-12,21H,10H2,1-2H3/b18-11-
InChIKey
FXYVGXQCFYJNOM-WQRHYEAKSA-N
Compound name
(5Z)-3-benzyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 174.8
[M+Na]+ 345.109718 183.6
[M-H]- 321.113224 184.8
[M+NH4]+ 340.154323 189.1
[M+K]+ 361.083658 179.6
[M+H-H2O]+ 305.117760 167.3
[M+HCOO]- 367.118701 196.6
[M+CH3COO]- 381.134351 205.7
[M+Na-2H]- 343.095166 175.4
[M]+ 322.11995142 177.7
[M]- 322.12104858 177.7
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.