CID 124704

2-pyrazinoylguanidine

Structural Information

Molecular Formula
C6H7N5O
SMILES
C1=CN=C(C=N1)C(=O)N=C(N)N
InChI
InChI=1S/C6H7N5O/c7-6(8)11-5(12)4-3-9-1-2-10-4/h1-3H,(H4,7,8,11,12)
InChIKey
WNBSDCKJFDZMHT-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

643
Patents

165.06506 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 132.8
[M+Na]+ 188.05428 139.6
[M-H]- 164.05778 134.5
[M+NH4]+ 183.09888 149.6
[M+K]+ 204.02822 138.4
[M+H-H2O]+ 148.06232 124.5
[M+HCOO]- 210.06326 157.8
[M+CH3COO]- 224.07891 184.5
[M+Na-2H]- 186.03973 139.8
[M]+ 165.06451 128.9
[M]- 165.06561 128.9
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