CID 44257507

2'-o-methylphaseollidinisoflavan

Structural Information

Molecular Formula
C21H24O4
SMILES
CC(=CCC1=C(C=CC(=C1OC)C2CC3=C(C=C(C=C3)O)OC2)O)C
InChI
InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3
InChIKey
ZEJRFMCOSHZBRD-UHFFFAOYSA-N
Compound name
3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

340.16745 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.174726 182.4
[M+Na]+ 363.156668 188.8
[M-H]- 339.160174 187.8
[M+NH4]+ 358.201273 194.5
[M+K]+ 379.130608 185.0
[M+H-H2O]+ 323.164710 174.5
[M+HCOO]- 385.165651 197.2
[M+CH3COO]- 399.181301 210.5
[M+Na-2H]- 361.142116 183.1
[M]+ 340.16690142 183.0
[M]- 340.16799858 183.0
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

patents stripe