CID 12348890

64874-38-0

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CC(=NC2=NC=C(C=C21)Br)N
InChI
InChI=1S/C8H6BrN3/c9-6-3-5-1-2-7(10)12-8(5)11-4-6/h1-4H,(H2,10,11,12)
InChIKey
PEDHUXRIIJIMDP-UHFFFAOYSA-N
Compound name
6-bromo-1,8-naphthyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

222.9745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.98178 136.2
[M+Na]+ 245.96372 149.4
[M-H]- 221.96722 140.9
[M+NH4]+ 241.00832 156.4
[M+K]+ 261.93766 137.5
[M+H-H2O]+ 205.97176 135.3
[M+HCOO]- 267.97270 156.5
[M+CH3COO]- 281.98835 151.4
[M+Na-2H]- 243.94917 147.2
[M]+ 222.97395 153.5
[M]- 222.97505 153.5
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