CID 377465

Nsc658922

Structural Information

Molecular Formula
C19H22O7
SMILES
CC1C2=C(C=C(C=C2)OCOC)OC1(C3=C(C=C(C=C3)OCOC)O)O
InChI
InChI=1S/C19H22O7/c1-12-15-6-4-14(25-11-23-3)9-18(15)26-19(12,21)16-7-5-13(8-17(16)20)24-10-22-2/h4-9,12,20-21H,10-11H2,1-3H3
InChIKey
AFZNGIUUSDOHOB-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-4-(methoxymethoxy)phenyl]-6-(methoxymethoxy)-3-methyl-3H-1-benzofuran-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.13657 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.143846 180.8
[M+Na]+ 385.125788 189.2
[M-H]- 361.129294 187.2
[M+NH4]+ 380.170393 195.9
[M+K]+ 401.099728 188.1
[M+H-H2O]+ 345.133830 174.3
[M+HCOO]- 407.134771 199.8
[M+CH3COO]- 421.150421 210.5
[M+Na-2H]- 383.111236 184.3
[M]+ 362.13602142 189.2
[M]- 362.13711858 189.2
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

No patent data available for this compound.