CID 73314

5-(n-methyl-n-isobutyl)amiloride

Structural Information

Molecular Formula
C11H18ClN7O
SMILES
CC(C)CN(C)C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N
InChI
InChI=1S/C11H18ClN7O/c1-5(2)4-19(3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
InChIKey
RVIUMPLAOXSSGN-UHFFFAOYSA-N
Compound name
3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl(2-methylpropyl)amino]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

68
References

111
Patents

299.12613 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13341 168.2
[M+Na]+ 322.11535 175.1
[M+NH4]+ 317.15995 172.6
[M+K]+ 338.08929 172.6
[M-H]- 298.11885 169.8
[M+Na-2H]- 320.10080 170.9
[M]+ 299.12558 169.2
[M]- 299.12668 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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