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]+ 227.01373 143.0
[M+Na]+ 248.99567 156.1
[M-H]- 224.99917 144.8
[M+NH4]+ 244.04027 161.7
[M+K]+ 264.96961 150.0
[M+H-H2O]+ 209.00371 137.0
[M+HCOO]- 271.00465 154.5
[M+CH3COO]- 285.02030 156.3
[M+Na-2H]- 246.98112 149.7
[M]+ 226.00590 147.4
[M]- 226.00700 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.