CID 356759

Erianin

Structural Information

Molecular Formula
C18H22O5
SMILES
COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O
InChI
InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
InChIKey
UXDFUVFNIAJEGM-UHFFFAOYSA-N
Compound name
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

82
References

441
Patents

318.14673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15401 173.1
[M+Na]+ 341.13595 181.5
[M-H]- 317.13945 179.2
[M+NH4]+ 336.18055 187.5
[M+K]+ 357.10989 179.2
[M+H-H2O]+ 301.14399 165.1
[M+HCOO]- 363.14493 195.5
[M+CH3COO]- 377.16058 207.7
[M+Na-2H]- 339.12140 175.1
[M]+ 318.14618 180.9
[M]- 318.14728 180.9
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