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]+ 323.12778 174.8
[M+Na]+ 345.10972 183.6
[M-H]- 321.11322 184.8
[M+NH4]+ 340.15432 189.1
[M+K]+ 361.08366 179.6
[M+H-H2O]+ 305.11776 167.3
[M+HCOO]- 367.11870 196.6
[M+CH3COO]- 381.13435 205.7
[M+Na-2H]- 343.09517 175.4
[M]+ 322.11995 177.7
[M]- 322.12105 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.