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
3
Annotation Hits

22
References

2833
Patents

302.1453 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.