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 175.2
[M+Na]+ 322.07982 184.1
[M-H]- 298.08332 180.9
[M+NH4]+ 317.12442 186.2
[M+K]+ 338.05376 177.4
[M+H-H2O]+ 282.08786 165.0
[M+HCOO]- 344.08880 193.7
[M+CH3COO]- 358.10445 212.4
[M+Na-2H]- 320.06527 177.2
[M]+ 299.09005 168.8
[M]- 299.09115 168.8
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.