CID 26951

Ipronidazole

Structural Information

Molecular Formula

C₇H₁₁N₃O₂

SMILES

CC(C)C1=NC=C(N1C)[N+](=O)[O-]

InChI

InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3

InChIKey

NTAFJUSDNOSFFY-UHFFFAOYSA-N

Compound name

1-methyl-5-nitro-2-propan-2-ylimidazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 38
References: 1042
Patents: 169.08513 Da
Monoisotopic Mass: 1.1
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]+	170.09241	134.0
[M+Na]+	192.07435	142.7
[M-H]-	168.07785	135.9
[M+NH4]+	187.11895	153.3
[M+K]+	208.04829	138.1
[M+H-H2O]+	152.08239	132.1
[M+HCOO]-	214.08333	157.7
[M+CH3COO]-	228.09898	175.1
[M+Na-2H]-	190.05980	139.9
[M]+	169.08458	133.7
[M]-	169.08568	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe