CID 612574

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

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)C1)C
InChI
InChI=1S/C17H17N3O2/c1-17(2)6-12(21)15-13(7-17)22-16(19)11(8-18)14(15)10-4-3-5-20-9-10/h3-5,9,14H,6-7,19H2,1-2H3
InChIKey
UKFATYADHHPKQM-UHFFFAOYSA-N
Compound name
2-amino-7,7-dimethyl-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

295.13208 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 171.3
[M+Na]+ 318.12130 184.4
[M+NH4]+ 313.16590 176.9
[M+K]+ 334.09524 172.7
[M-H]- 294.12480 169.3
[M+Na-2H]- 316.10675 175.3
[M]+ 295.13153 172.0
[M]- 295.13263 172.0
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.