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]+ 363.14385 180.8
[M+Na]+ 385.12579 189.2
[M-H]- 361.12929 187.2
[M+NH4]+ 380.17039 195.9
[M+K]+ 401.09973 188.1
[M+H-H2O]+ 345.13383 174.3
[M+HCOO]- 407.13477 199.8
[M+CH3COO]- 421.15042 210.5
[M+Na-2H]- 383.11124 184.3
[M]+ 362.13602 189.2
[M]- 362.13712 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.