CID 6443783

Eupomatenoid 5

Structural Information

Molecular Formula
C19H18O3
SMILES
C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H18O3/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/h4-11,20H,1-3H3/b5-4+
InChIKey
HMGCTPMQYVGXSC-SNAWJCMRSA-N
Compound name
2-methoxy-4-[3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

2
Patents

294.12558 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 168.0
[M+Na]+ 317.11480 179.3
[M-H]- 293.11830 176.5
[M+NH4]+ 312.15940 185.3
[M+K]+ 333.08874 175.0
[M+H-H2O]+ 277.12284 161.6
[M+HCOO]- 339.12378 191.1
[M+CH3COO]- 353.13943 202.4
[M+Na-2H]- 315.10025 171.6
[M]+ 294.12503 174.2
[M]- 294.12613 174.2
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