CID 604910

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

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1CC2=C(C(C(=C(O2)N)C#N)C3=CN=CC=C3)C(=O)C1
InChI
InChI=1S/C15H13N3O2/c16-7-10-13(9-3-2-6-18-8-9)14-11(19)4-1-5-12(14)20-15(10)17/h2-3,6,8,13H,1,4-5,17H2
InChIKey
GIIJAICGWYGVLW-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

267.10077 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 162.4
[M+Na]+ 290.08999 172.5
[M-H]- 266.09349 166.8
[M+NH4]+ 285.13459 174.9
[M+K]+ 306.06393 166.6
[M+H-H2O]+ 250.09803 147.4
[M+HCOO]- 312.09897 177.1
[M+CH3COO]- 326.11462 172.0
[M+Na-2H]- 288.07544 166.5
[M]+ 267.10022 154.3
[M]- 267.10132 154.3
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.