CID 51086

Disperse yellow 211

Structural Information

Molecular Formula
C15H12ClN5O4
SMILES
CCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)C#N)O
InChI
InChI=1S/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,22H,3H2,1-2H3
InChIKey
FHERFUXQYBSNRD-UHFFFAOYSA-N
Compound name
5-[(4-chloro-2-nitrophenyl)diazenyl]-1-ethyl-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

361.05777 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.06505 187.3
[M+Na]+ 384.04699 198.0
[M-H]- 360.05049 192.9
[M+NH4]+ 379.09159 197.4
[M+K]+ 400.02093 189.7
[M+H-H2O]+ 344.05503 176.5
[M+HCOO]- 406.05597 205.8
[M+CH3COO]- 420.07162 225.0
[M+Na-2H]- 382.03244 190.3
[M]+ 361.05722 185.9
[M]- 361.05832 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe