CID 44611843

Resorcinol compound 18

Structural Information

Molecular Formula
C18H22O5
SMILES
COC1=CC(=C(C(=C1)OC)CCCC2=C(C=C(C=C2)O)O)OC
InChI
InChI=1S/C18H22O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)6-4-5-12-7-8-13(19)9-16(12)20/h7-11,19-20H,4-6H2,1-3H3
InChIKey
BLSIHFDETVSCHH-UHFFFAOYSA-N
Compound name
4-[3-(2,4,6-trimethoxyphenyl)propyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

318.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15401 173.5
[M+Na]+ 341.13595 181.5
[M-H]- 317.13945 178.2
[M+NH4]+ 336.18055 187.2
[M+K]+ 357.10989 178.4
[M+H-H2O]+ 301.14399 165.8
[M+HCOO]- 363.14493 194.4
[M+CH3COO]- 377.16058 205.4
[M+Na-2H]- 339.12140 175.1
[M]+ 318.14618 179.5
[M]- 318.14728 179.5
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