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]+ 268.108046 162.4
[M+Na]+ 290.089988 172.5
[M-H]- 266.093494 166.8
[M+NH4]+ 285.134593 174.9
[M+K]+ 306.063928 166.6
[M+H-H2O]+ 250.098030 147.4
[M+HCOO]- 312.098971 177.1
[M+CH3COO]- 326.114621 172.0
[M+Na-2H]- 288.075436 166.5
[M]+ 267.10022142 154.3
[M]- 267.10131858 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.