CID 6422124

Ciproxifan

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂

SMILES

C1CC1C(=O)C2=CC=C(C=C2)OCCCC3=CN=CN3

InChI

InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)

InChIKey

ACQBHJXEAYTHCY-UHFFFAOYSA-N

Compound name

cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 154
References: 1644
Patents: 270.13684 Da
Monoisotopic Mass: 2.5
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]+	271.14412	163.6
[M+Na]+	293.12606	171.5
[M-H]-	269.12956	169.6
[M+NH4]+	288.17066	173.2
[M+K]+	309.10000	165.9
[M+H-H2O]+	253.13410	154.8
[M+HCOO]-	315.13504	184.3
[M+CH3COO]-	329.15069	197.1
[M+Na-2H]-	291.11151	166.0
[M]+	270.13629	166.1
[M]-	270.13739	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe