CID 44260108

Ambofuranol

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=CC2=C(C=C1O)OC(=C2OC)C3=C(C=C(C=C3)OC)O)C
InChI
InChI=1S/C21H22O5/c1-12(2)5-6-13-9-16-19(11-17(13)22)26-21(20(16)25-4)15-8-7-14(24-3)10-18(15)23/h5,7-11,22-23H,6H2,1-4H3
InChIKey
CRFPSPZXZWQQHE-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-4-methoxyphenyl)-3-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14673 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.9
[M+Na]+ 377.13595 193.8
[M-H]- 353.13945 191.1
[M+NH4]+ 372.18055 197.9
[M+K]+ 393.10989 190.4
[M+H-H2O]+ 337.14399 177.2
[M+HCOO]- 399.14493 204.0
[M+CH3COO]- 413.16058 212.7
[M+Na-2H]- 375.12140 184.3
[M]+ 354.14618 191.6
[M]- 354.14728 191.6
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

No patent data available for this compound.