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

1
Patents

246.01163 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01891 141.5
[M+Na]+ 269.00085 152.7
[M-H]- 245.00435 145.0
[M+NH4]+ 264.04545 159.4
[M+K]+ 284.97479 141.2
[M+H-H2O]+ 229.00889 139.1
[M+HCOO]- 291.00983 163.1
[M+CH3COO]- 305.02548 193.9
[M+Na-2H]- 266.98630 150.1
[M]+ 246.01108 159.8
[M]- 246.01218 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