CID 174327

83748-27-0

Structural Information

Molecular Formula
C16H14ClN5O4
SMILES
CCCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)C#N)O
InChI
InChI=1S/C16H14ClN5O4/c1-3-6-21-15(23)11(8-18)9(2)14(16(21)24)20-19-12-5-4-10(17)7-13(12)22(25)26/h4-5,7,23H,3,6H2,1-2H3
InChIKey
YOXAAGNCYGONKU-UHFFFAOYSA-N
Compound name
5-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.07343 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08071 182.5
[M+Na]+ 398.06265 196.2
[M+NH4]+ 393.10725 184.9
[M+K]+ 414.03659 188.6
[M-H]- 374.06615 180.1
[M+Na-2H]- 396.04810 185.9
[M]+ 375.07288 183.0
[M]- 375.07398 183.0
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.