CID 108107

Benzamil

Structural Information

Molecular Formula
C13H14ClN7O
SMILES
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
InChI
InChI=1S/C13H14ClN7O/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22)
InChIKey
KXDROGADUISDGY-UHFFFAOYSA-N
Compound name
3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

434
References

2210
Patents

319.09485 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.10213 171.1
[M+Na]+ 342.08407 180.8
[M+NH4]+ 337.12867 176.3
[M+K]+ 358.05801 176.1
[M-H]- 318.08757 175.4
[M+Na-2H]- 340.06952 177.6
[M]+ 319.09430 173.4
[M]- 319.09540 173.4
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

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