CID 65761

Flutonidine

Structural Information

Molecular Formula

C₁₀H₁₂FN₃

SMILES

CC1=C(C=C(C=C1)F)NC2=NCCN2

InChI

InChI=1S/C10H12FN3/c1-7-2-3-8(11)6-9(7)14-10-12-4-5-13-10/h2-3,6H,4-5H2,1H3,(H2,12,13,14)

InChIKey

UYIZEUBMWCOJFF-UHFFFAOYSA-N

Compound name

N-(5-fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 122
Patents: 193.10153 Da
Monoisotopic Mass: 1.4
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]+	194.10881	140.1
[M+Na]+	216.09075	148.1
[M-H]-	192.09425	141.8
[M+NH4]+	211.13535	157.9
[M+K]+	232.06469	143.8
[M+H-H2O]+	176.09879	131.3
[M+HCOO]-	238.09973	161.1
[M+CH3COO]-	252.11538	152.2
[M+Na-2H]-	214.07620	144.7
[M]+	193.10098	135.2
[M]-	193.10208	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe