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 182.5
[M+Na]+ 363.09515 194.0
[M-H]- 339.09865 187.3
[M+NH4]+ 358.13975 193.1
[M+K]+ 379.06909 189.3
[M+H-H2O]+ 323.10319 168.5
[M+HCOO]- 385.10413 197.7
[M+CH3COO]- 399.11978 221.8
[M+Na-2H]- 361.08060 184.2
[M]+ 340.10538 179.9
[M]- 340.10648 179.9
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.