CID 23652247

4'-methoxy-7-isoflavanol

Structural Information

Molecular Formula
C16H16O3
SMILES
COC1=CC=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2
InChI
InChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3
InChIKey
FPRFNXQLWQOWED-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

744
References

39
Patents

256.10995 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 156.4
[M+Na]+ 279.09917 163.8
[M-H]- 255.10267 163.3
[M+NH4]+ 274.14377 172.4
[M+K]+ 295.07311 161.1
[M+H-H2O]+ 239.10721 148.9
[M+HCOO]- 301.10815 175.2
[M+CH3COO]- 315.12380 168.5
[M+Na-2H]- 277.08462 162.8
[M]+ 256.10940 156.3
[M]- 256.11050 156.3
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