CID 5282433

Neticonazole

Structural Information

Molecular Formula

C₁₇H₂₂N₂OS

SMILES

CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2

InChI

InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+

InChIKey

VWOIKFDZQQLJBJ-DTQAZKPQSA-N

Compound name

1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 22
References: 3123
Patents: 302.1453 Da
Monoisotopic Mass: 4.1
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]+	303.15258	172.8
[M+Na]+	325.13452	179.7
[M-H]-	301.13802	176.5
[M+NH4]+	320.17912	187.7
[M+K]+	341.10846	174.7
[M+H-H2O]+	285.14256	164.1
[M+HCOO]-	347.14350	188.9
[M+CH3COO]-	361.15915	202.3
[M+Na-2H]-	323.11997	171.6
[M]+	302.14475	177.5
[M]-	302.14585	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe