CID 4338953

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

Structural Information

Molecular Formula
C5H4ClN5
SMILES
C(#N)C1=C(N=C(C(=N1)Cl)N)N
InChI
InChI=1S/C5H4ClN5/c6-3-5(9)11-4(8)2(1-7)10-3/h(H4,8,9,11)
InChIKey
AQENTCJPUUSHCK-UHFFFAOYSA-N
Compound name
3,5-diamino-6-chloropyrazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

169.01552 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.022796 133.5
[M+Na]+ 192.004738 145.2
[M-H]- 168.008244 133.6
[M+NH4]+ 187.049343 149.4
[M+K]+ 207.978678 141.7
[M+H-H2O]+ 152.012780 120.6
[M+HCOO]- 214.013721 149.2
[M+CH3COO]- 228.029371 193.9
[M+Na-2H]- 189.990186 138.9
[M]+ 169.01497142 127.1
[M]- 169.01606858 127.1
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