CID 15606121

6-bromo-n2-(2-methoxyethyl)pyrazine-2,3-diamine

Structural Information

Molecular Formula
C7H11BrN4O
SMILES
COCCNC1=NC(=CN=C1N)Br
InChI
InChI=1S/C7H11BrN4O/c1-13-3-2-10-7-6(9)11-4-5(8)12-7/h4H,2-3H2,1H3,(H2,9,11)(H,10,12)
InChIKey
LPVMZCMPKVJLFE-UHFFFAOYSA-N
Compound name
5-bromo-3-N-(2-methoxyethyl)pyrazine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.01163 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.018906 141.5
[M+Na]+ 269.000848 152.7
[M-H]- 245.004354 145.0
[M+NH4]+ 264.045453 159.4
[M+K]+ 284.974788 141.2
[M+H-H2O]+ 229.008890 139.1
[M+HCOO]- 291.009831 163.1
[M+CH3COO]- 305.025481 193.9
[M+Na-2H]- 266.986296 150.1
[M]+ 246.01108142 159.8
[M]- 246.01217858 159.8
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