CID 1793

5-dimethylamiloride

Structural Information

Molecular Formula
C8H12ClN7O
SMILES
CN(C)C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N
InChI
InChI=1S/C8H12ClN7O/c1-16(2)6-4(9)13-3(5(10)14-6)7(17)15-8(11)12/h1-2H3,(H2,10,14)(H4,11,12,15,17)
InChIKey
RXMUPNVSYKGKMY-UHFFFAOYSA-N
Compound name
3-amino-6-chloro-N-(diaminomethylidene)-5-(dimethylamino)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

257
References

1005
Patents

257.0792 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08648 158.8
[M+Na]+ 280.06842 166.7
[M-H]- 256.07192 162.2
[M+NH4]+ 275.11302 173.3
[M+K]+ 296.04236 164.7
[M+H-H2O]+ 240.07646 150.8
[M+HCOO]- 302.07740 180.4
[M+CH3COO]- 316.09305 211.6
[M+Na-2H]- 278.05387 160.8
[M]+ 257.07865 157.6
[M]- 257.07975 157.6
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