CID 72391

Anolignan a

Structural Information

Molecular Formula
C19H18O4
SMILES
C=C(CC1=CC2=C(C=C1)OCO2)C(=C)CC3=C(C=C(C=C3)O)O
InChI
InChI=1S/C19H18O4/c1-12(7-14-3-6-18-19(9-14)23-11-22-18)13(2)8-15-4-5-16(20)10-17(15)21/h3-6,9-10,20-21H,1-2,7-8,11H2
InChIKey
HFSAUGRJONZEDN-UHFFFAOYSA-N
Compound name
4-[3-(1,3-benzodioxol-5-ylmethyl)-2-methylidenebut-3-enyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.1205 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 173.6
[M+Na]+ 333.10972 180.1
[M-H]- 309.11322 179.9
[M+NH4]+ 328.15432 186.9
[M+K]+ 349.08366 177.1
[M+H-H2O]+ 293.11776 167.3
[M+HCOO]- 355.11870 189.6
[M+CH3COO]- 369.13435 202.5
[M+Na-2H]- 331.09517 174.6
[M]+ 310.11995 174.4
[M]- 310.12105 174.4
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.