CID 85199

7-chloro-1,8-naphthyridin-2-amine

Structural Information

Molecular Formula
C8H6ClN3
SMILES
C1=CC(=NC2=C1C=CC(=N2)Cl)N
InChI
InChI=1S/C8H6ClN3/c9-6-3-1-5-2-4-7(10)12-8(5)11-6/h1-4H,(H2,10,11,12)
InChIKey
HRXBYPUUCBEZAS-UHFFFAOYSA-N
Compound name
7-chloro-1,8-naphthyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

179.02502 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03230 133.1
[M+Na]+ 202.01424 144.4
[M-H]- 178.01774 134.9
[M+NH4]+ 197.05884 152.3
[M+K]+ 217.98818 139.3
[M+H-H2O]+ 162.02228 126.5
[M+HCOO]- 224.02322 151.1
[M+CH3COO]- 238.03887 146.7
[M+Na-2H]- 199.99969 142.7
[M]+ 179.02447 133.6
[M]- 179.02557 133.6
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

patents stripe