CID 641376

Moracin n

Structural Information

Molecular Formula
C19H18O4
SMILES
CC(=CCC1=C(C=C2C(=C1)C=C(O2)C3=CC(=CC(=C3)O)O)O)C
InChI
InChI=1S/C19H18O4/c1-11(2)3-4-12-5-13-8-18(23-19(13)10-17(12)22)14-6-15(20)9-16(21)7-14/h3,5-10,20-22H,4H2,1-2H3
InChIKey
WBSCSIABHGPAMC-UHFFFAOYSA-N
Compound name
5-[6-hydroxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

14
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

literature stripe

Patent stripe

patents stripe