CID 162575

Dtxsid6068513

Structural Information

Molecular Formula
C15H13N5O4
SMILES
CCN1C(=C(C(=C(C1=O)N=NC2=CC=CC=C2[N+](=O)[O-])C)C#N)O
InChI
InChI=1S/C15H13N5O4/c1-3-19-14(21)10(8-16)9(2)13(15(19)22)18-17-11-6-4-5-7-12(11)20(23)24/h4-7,21H,3H2,1-2H3
InChIKey
WTIQNIFLDFEDQF-UHFFFAOYSA-N
Compound name
1-ethyl-2-hydroxy-4-methyl-5-[(2-nitrophenyl)diazenyl]-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

327.09674 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10402 179.3
[M+Na]+ 350.08596 188.8
[M-H]- 326.08946 184.9
[M+NH4]+ 345.13056 189.6
[M+K]+ 366.05990 181.7
[M+H-H2O]+ 310.09400 167.4
[M+HCOO]- 372.09494 202.0
[M+CH3COO]- 386.11059 220.7
[M+Na-2H]- 348.07141 183.6
[M]+ 327.09619 175.5
[M]- 327.09729 175.5
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

patents stripe