CID 478039

2,4-dichloro-3,7-dimethyl-1,8-naphthyridine

Structural Information

Molecular Formula
C10H8Cl2N2
SMILES
CC1=NC2=C(C=C1)C(=C(C(=N2)Cl)C)Cl
InChI
InChI=1S/C10H8Cl2N2/c1-5-3-4-7-8(11)6(2)9(12)14-10(7)13-5/h3-4H,1-2H3
InChIKey
BBYGQECTQFLBSU-UHFFFAOYSA-N
Compound name
2,4-dichloro-3,7-dimethyl-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.00645 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.013726 143.0
[M+Na]+ 248.995668 156.1
[M-H]- 224.999174 144.8
[M+NH4]+ 244.040273 161.7
[M+K]+ 264.969608 150.0
[M+H-H2O]+ 209.003710 137.0
[M+HCOO]- 271.004651 154.5
[M+CH3COO]- 285.020301 156.3
[M+Na-2H]- 246.981116 149.7
[M]+ 226.00590142 147.4
[M]- 226.00699858 147.4
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

No patent data available for this compound.