CID 14213226

Parakmerin a

Structural Information

Molecular Formula
C19H20O3
SMILES
C/C=C/C1=CC2=C(C=C1)OC(C2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h4-12,19-20H,1-3H3/b5-4+
InChIKey
FCFVMNGCSPIORZ-SNAWJCMRSA-N
Compound name
2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

296.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 169.8
[M+Na]+ 319.13046 179.0
[M-H]- 295.13396 177.5
[M+NH4]+ 314.17506 186.8
[M+K]+ 335.10440 174.9
[M+H-H2O]+ 279.13850 163.4
[M+HCOO]- 341.13944 190.0
[M+CH3COO]- 355.15509 203.0
[M+Na-2H]- 317.11591 171.5
[M]+ 296.14069 173.0
[M]- 296.14179 173.0
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

patents stripe