CID 2831045

5-acetyl-2-amino-6-methyl-4-(2-nitrophenyl)-4h-pyran-3-carbonitrile

Structural Information

Molecular Formula
C15H13N3O4
SMILES
CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C15H13N3O4/c1-8(19)13-9(2)22-15(17)11(7-16)14(13)10-5-3-4-6-12(10)18(20)21/h3-6,14H,17H2,1-2H3
InChIKey
MIOXIZADVTVQBO-UHFFFAOYSA-N
Compound name
5-acetyl-2-amino-6-methyl-4-(2-nitrophenyl)-4H-pyran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0906 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 169.0
[M+Na]+ 322.07982 181.4
[M+NH4]+ 317.12442 172.0
[M+K]+ 338.05376 175.5
[M-H]- 298.08332 167.3
[M+Na-2H]- 320.06527 171.4
[M]+ 299.09005 169.3
[M]- 299.09115 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.