CID 16231

Amiloride

Structural Information

Molecular Formula

C₆H₈ClN₇O

SMILES

C1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N

InChI

InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

InChIKey

XSDQTOBWRPYKKA-UHFFFAOYSA-N

Compound name

3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 8749
References: 48354
Patents: 229.04788 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	230.05516	149.4
[M+Na]+	252.03710	158.0
[M-H]-	228.04060	151.2
[M+NH4]+	247.08170	164.2
[M+K]+	268.01104	154.8
[M+H-H2O]+	212.04514	142.0
[M+HCOO]-	274.04608	170.6
[M+CH3COO]-	288.06173	202.0
[M+Na-2H]-	250.02255	152.1
[M]+	229.04733	145.3
[M]-	229.04843	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe