CID 12306803

Angophorol

Structural Information

Molecular Formula
C18H18O5
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C18H18O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-7,14,19,21H,8H2,1-3H3
InChIKey
VWWMSFMNICMFQB-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

314.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 171.2
[M+Na]+ 337.10464 180.8
[M-H]- 313.10814 177.9
[M+NH4]+ 332.14924 185.0
[M+K]+ 353.07858 178.1
[M+H-H2O]+ 297.11268 163.9
[M+HCOO]- 359.11362 188.1
[M+CH3COO]- 373.12927 206.3
[M+Na-2H]- 335.09009 173.5
[M]+ 314.11487 173.9
[M]- 314.11597 173.9
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