CID 604343

3,5-diamino-6-chloropyrazine-2-carboxamide

Structural Information

Molecular Formula
C5H6ClN5O
SMILES
C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N
InChI
InChI=1S/C5H6ClN5O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)(H4,7,8,11)
InChIKey
UYTQEWLAYXCJEC-UHFFFAOYSA-N
Compound name
3,5-diamino-6-chloropyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

149
Patents

187.0261 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03338 137.1
[M+Na]+ 210.01532 147.2
[M-H]- 186.01882 137.8
[M+NH4]+ 205.05992 153.8
[M+K]+ 225.98926 143.4
[M+H-H2O]+ 170.02336 130.7
[M+HCOO]- 232.02430 156.4
[M+CH3COO]- 246.03995 187.4
[M+Na-2H]- 208.00077 141.3
[M]+ 187.02555 134.5
[M]- 187.02665 134.5
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