CID 155248

Moracin c

Structural Information

Molecular Formula
C19H18O4
SMILES
CC(=CCC1=C(C=C(C=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)C
InChI
InChI=1S/C19H18O4/c1-11(2)3-6-15-16(21)7-13(8-17(15)22)18-9-12-4-5-14(20)10-19(12)23-18/h3-5,7-10,20-22H,6H2,1-2H3
InChIKey
ZTGHWUWBQNCCOH-UHFFFAOYSA-N
Compound name
5-(6-hydroxy-1-benzofuran-2-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

33
Patents

310.1205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 172.1
[M+Na]+ 333.10972 181.8
[M-H]- 309.11322 177.9
[M+NH4]+ 328.15432 187.0
[M+K]+ 349.08366 177.1
[M+H-H2O]+ 293.11776 166.0
[M+HCOO]- 355.11870 191.2
[M+CH3COO]- 369.13435 201.0
[M+Na-2H]- 331.09517 173.7
[M]+ 310.11995 175.4
[M]- 310.12105 175.4
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.