CID 15838234

Unanisoflavan

Structural Information

Molecular Formula
C22H26O5
SMILES
CC(C)(C=C)C1=C(C(=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O)OC
InChI
InChI=1S/C22H26O5/c1-6-22(2,3)17-11-16(20(25-4)19(24)21(17)26-5)14-9-13-7-8-15(23)10-18(13)27-12-14/h6-8,10-11,14,23-24H,1,9,12H2,2-5H3
InChIKey
VNLILVLACYXYJO-UHFFFAOYSA-N
Compound name
3-[3-hydroxy-2,4-dimethoxy-5-(2-methylbut-3-en-2-yl)phenyl]-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 189.5
[M+Na]+ 393.16722 196.6
[M-H]- 369.17072 195.3
[M+NH4]+ 388.21182 200.6
[M+K]+ 409.14116 193.7
[M+H-H2O]+ 353.17526 181.8
[M+HCOO]- 415.17620 203.4
[M+CH3COO]- 429.19185 217.3
[M+Na-2H]- 391.15267 191.4
[M]+ 370.17745 192.6
[M]- 370.17855 192.6
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

patents stripe