CID 59693917

5-bromo-3-chloro-n-methylpyrazin-2-amine

Structural Information

Molecular Formula
C5H5BrClN3
SMILES
CNC1=NC=C(N=C1Cl)Br
InChI
InChI=1S/C5H5BrClN3/c1-8-5-4(7)10-3(6)2-9-5/h2H,1H3,(H,8,9)
InChIKey
OYYICYQKDTWZQI-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-N-methylpyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

220.93555 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.942826 130.7
[M+Na]+ 243.924768 144.8
[M-H]- 219.928274 134.9
[M+NH4]+ 238.969373 151.2
[M+K]+ 259.898708 132.2
[M+H-H2O]+ 203.932810 130.4
[M+HCOO]- 265.933751 148.1
[M+CH3COO]- 279.949401 185.9
[M+Na-2H]- 241.910216 140.8
[M]+ 220.93500142 150.5
[M]- 220.93609858 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe