CID 4658307

2-amino-4-(2,5-dimethoxyphenyl)-5,7-dihydroxy-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C18H16N2O5
SMILES
COC1=CC(=C(C=C1)OC)C2C(=C(OC3=CC(=CC(=C23)O)O)N)C#N
InChI
InChI=1S/C18H16N2O5/c1-23-10-3-4-14(24-2)11(7-10)16-12(8-19)18(20)25-15-6-9(21)5-13(22)17(15)16/h3-7,16,21-22H,20H2,1-2H3
InChIKey
ZHNBHUIOOBULMN-UHFFFAOYSA-N
Compound name
2-amino-4-(2,5-dimethoxyphenyl)-5,7-dihydroxy-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 180.1
[M+Na]+ 363.09515 192.8
[M+NH4]+ 358.13975 183.0
[M+K]+ 379.06909 184.3
[M-H]- 339.09865 177.3
[M+Na-2H]- 361.08060 181.7
[M]+ 340.10538 180.2
[M]- 340.10648 180.2
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.