CID 109780

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

Structural Information

Molecular Formula
C19H14ClN5O2
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)NC2=CC=CC=C2)N=NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H14ClN5O2/c1-12-16(11-21)18(26)25(24-14-7-3-2-4-8-14)19(27)17(12)23-22-15-9-5-6-13(20)10-15/h2-10,24,26H,1H3
InChIKey
KNNJXWRYZLKLGT-UHFFFAOYSA-N
Compound name
1-anilino-5-[(3-chlorophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

379.0836 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09088 195.8
[M+Na]+ 402.07282 207.4
[M-H]- 378.07632 203.3
[M+NH4]+ 397.11742 205.3
[M+K]+ 418.04676 199.6
[M+H-H2O]+ 362.08086 179.2
[M+HCOO]- 424.08180 214.4
[M+CH3COO]- 438.09745 234.5
[M+Na-2H]- 400.05827 198.6
[M]+ 379.08305 193.8
[M]- 379.08415 193.8
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