CID 25202158

Dalnigrein

Structural Information

Molecular Formula
C19H18O7
SMILES
COC1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)OC)O)OC)OC
InChI
InChI=1S/C19H18O7/c1-22-14-8-18(25-4)17(24-3)5-10(14)12-9-26-15-7-13(20)16(23-2)6-11(15)19(12)21/h5-9,20H,1-4H3
InChIKey
HCBHUSZRPOFQMN-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

358.10526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 180.1
[M+Na]+ 381.09448 196.1
[M+NH4]+ 376.13908 186.4
[M+K]+ 397.06842 190.2
[M-H]- 357.09798 184.9
[M+Na-2H]- 379.07993 186.0
[M]+ 358.10471 183.9
[M]- 358.10581 183.9
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

No patent data available for this compound.