CID 2828666

2-amino-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C19H20N2O4
SMILES
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)O)C(=O)C1)C
InChI
InChI=1S/C19H20N2O4/c1-19(2)7-13(23)17-15(8-19)25-18(21)11(9-20)16(17)10-4-5-14(24-3)12(22)6-10/h4-6,16,22H,7-8,21H2,1-3H3
InChIKey
RNYUWGKGGRMNHI-UHFFFAOYSA-N
Compound name
2-amino-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 178.7
[M+Na]+ 363.13152 190.8
[M+NH4]+ 358.17612 183.3
[M+K]+ 379.10546 180.2
[M-H]- 339.13502 176.1
[M+Na-2H]- 361.11697 181.1
[M]+ 340.14175 178.9
[M]- 340.14285 178.9
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.