CID 325550

Nsc294496

Structural Information

Molecular Formula
C22H24O6
SMILES
CC(C)(C=C)C1C(C(=O)C2=C(O1)C=C(C=C2)O)C3=C(C(=C(C=C3)OC)OC)O
InChI
InChI=1S/C22H24O6/c1-6-22(2,3)21-17(14-9-10-15(26-4)20(27-5)19(14)25)18(24)13-8-7-12(23)11-16(13)28-21/h6-11,17,21,23,25H,1H2,2-5H3
InChIKey
ZKXWCCNDMLVEMJ-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2-(2-methylbut-3-en-2-yl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.1573 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16458 190.7
[M+Na]+ 407.14652 198.8
[M-H]- 383.15002 196.9
[M+NH4]+ 402.19112 201.4
[M+K]+ 423.12046 196.2
[M+H-H2O]+ 367.15456 183.1
[M+HCOO]- 429.15550 204.9
[M+CH3COO]- 443.17115 220.4
[M+Na-2H]- 405.13197 192.3
[M]+ 384.15675 195.0
[M]- 384.15785 195.0
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

No patent data available for this compound.