CID 12198520

2-amino-5-bromo-3-(methylamino)pyrazine

Structural Information

Molecular Formula
C5H7BrN4
SMILES
CNC1=NC(=CN=C1N)Br
InChI
InChI=1S/C5H7BrN4/c1-8-5-4(7)9-2-3(6)10-5/h2H,1H3,(H2,7,9)(H,8,10)
InChIKey
KAXGNNJZVMTPNM-UHFFFAOYSA-N
Compound name
5-bromo-3-N-methylpyrazine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

201.98541 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.992686 130.4
[M+Na]+ 224.974628 142.6
[M-H]- 200.978134 134.3
[M+NH4]+ 220.019233 150.1
[M+K]+ 240.948568 131.2
[M+H-H2O]+ 184.982670 128.7
[M+HCOO]- 246.983611 152.5
[M+CH3COO]- 260.999261 186.3
[M+Na-2H]- 222.960076 140.0
[M]+ 201.98486142 146.8
[M]- 201.98595858 146.8
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