CID 5043457

3611-11-8

Structural Information

Molecular Formula
C8H6BrN3
SMILES
C1=CN=CC2=CC(=NC(=C21)Br)N
InChI
InChI=1S/C8H6BrN3/c9-8-6-1-2-11-4-5(6)3-7(10)12-8/h1-4H,(H2,10,12)
InChIKey
XCIQIUBGAYVLLE-UHFFFAOYSA-N
Compound name
1-bromo-2,6-naphthyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

222.9745 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.981776 136.2
[M+Na]+ 245.963718 149.4
[M-H]- 221.967224 140.9
[M+NH4]+ 241.008323 156.4
[M+K]+ 261.937658 137.5
[M+H-H2O]+ 205.971760 135.3
[M+HCOO]- 267.972701 156.5
[M+CH3COO]- 281.988351 151.4
[M+Na-2H]- 243.949166 147.2
[M]+ 222.97395142 153.5
[M]- 222.97504858 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