CID 622082

2-amino-7-isopropyl-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C16H13N3O2
SMILES
CC(C)C1=CC2=C(C=C1)OC3=C(C2=O)C=C(C(=N3)N)C#N
InChI
InChI=1S/C16H13N3O2/c1-8(2)9-3-4-13-11(5-9)14(20)12-6-10(7-17)15(18)19-16(12)21-13/h3-6,8H,1-2H3,(H2,18,19)
InChIKey
ZFMOBKNMVOXMMZ-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

279.10077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 169.3
[M+Na]+ 302.08999 182.9
[M-H]- 278.09349 173.1
[M+NH4]+ 297.13459 183.0
[M+K]+ 318.06393 176.8
[M+H-H2O]+ 262.09803 154.9
[M+HCOO]- 324.09897 186.3
[M+CH3COO]- 338.11462 180.0
[M+Na-2H]- 300.07544 174.7
[M]+ 279.10022 167.5
[M]- 279.10132 167.5
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

patents stripe