CID 109229

Einecs 269-303-5

Structural Information

Molecular Formula
C17H13Cl2N4O2
SMILES
CC1=C(C(=O)NC(=C1N=NC2=C(C=CC(=C2)Cl)Cl)O)[N+]3=CC=CC=C3
InChI
InChI=1S/C17H12Cl2N4O2/c1-10-14(22-21-13-9-11(18)5-6-12(13)19)16(24)20-17(25)15(10)23-7-3-2-4-8-23/h2-9H,1H3,(H-,20,21,24,25)/p+1
InChIKey
MPHMIBYJTUUISF-UHFFFAOYSA-O
Compound name
5-[(2,5-dichlorophenyl)diazenyl]-6-hydroxy-4-methyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.04156 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.04884 186.2
[M+Na]+ 398.03078 197.0
[M-H]- 374.03428 193.5
[M+NH4]+ 393.07538 196.2
[M+K]+ 414.00472 183.9
[M+H-H2O]+ 358.03882 179.2
[M+HCOO]- 420.03976 200.4
[M+CH3COO]- 434.05541 212.1
[M+Na-2H]- 396.01623 192.5
[M]+ 375.04101 189.3
[M]- 375.04211 189.3
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.