CID 170707

3-pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)azo]-2-oxo-

Structural Information

Molecular Formula
C14H11N5O4
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])N=NC2=C(C(=C(NC2=O)O)C#N)C
InChI
InChI=1S/C14H11N5O4/c1-7-5-9(19(22)23)3-4-11(7)17-18-12-8(2)10(6-15)13(20)16-14(12)21/h3-5H,1-2H3,(H2,16,20,21)
InChIKey
NSFAEYWEEUWUQO-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-5-[(2-methyl-4-nitrophenyl)diazenyl]-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

313.08112 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.08840 176.1
[M+Na]+ 336.07034 185.6
[M-H]- 312.07384 180.8
[M+NH4]+ 331.11494 186.4
[M+K]+ 352.04428 178.1
[M+H-H2O]+ 296.07838 164.7
[M+HCOO]- 358.07932 197.8
[M+CH3COO]- 372.09497 215.8
[M+Na-2H]- 334.05579 180.4
[M]+ 313.08057 170.4
[M]- 313.08167 170.4
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