CID 173335

75125-55-2

Structural Information

Molecular Formula
C14H11N5O5
SMILES
CC1=C(C(=O)NC(=C1C#N)O)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C14H11N5O5/c1-7-9(6-15)13(20)16-14(21)12(7)18-17-10-4-3-8(24-2)5-11(10)19(22)23/h3-5H,1-2H3,(H2,16,20,21)
InChIKey
RIECVLDMNHKXER-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.07602 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08330 177.8
[M+Na]+ 352.06524 187.0
[M-H]- 328.06874 182.4
[M+NH4]+ 347.10984 187.3
[M+K]+ 368.03918 180.1
[M+H-H2O]+ 312.07328 166.1
[M+HCOO]- 374.07422 199.6
[M+CH3COO]- 388.08987 217.8
[M+Na-2H]- 350.05069 182.5
[M]+ 329.07547 173.3
[M]- 329.07657 173.3
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.