CID 109779

68214-63-1

Structural Information

Molecular Formula
C19H13Cl2N5O2
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)NC2=CC=CC=C2)N=NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H13Cl2N5O2/c1-11-14(10-22)18(27)26(25-12-5-3-2-4-6-12)19(28)17(11)24-23-13-7-8-15(20)16(21)9-13/h2-9,25,27H,1H3
InChIKey
UQSJGJOFFJLXSJ-UHFFFAOYSA-N
Compound name
1-anilino-5-[(3,4-dichlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

413.04462 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.05190 202.5
[M+Na]+ 436.03384 215.2
[M-H]- 412.03734 209.6
[M+NH4]+ 431.07844 211.6
[M+K]+ 452.00778 206.7
[M+H-H2O]+ 396.04188 186.9
[M+HCOO]- 458.04282 216.5
[M+CH3COO]- 472.05847 238.9
[M+Na-2H]- 434.01929 203.8
[M]+ 413.04407 202.4
[M]- 413.04517 202.4
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