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
5
Annotation Hits

22
References

2847
Patents

302.1453 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.152576 172.8
[M+Na]+ 325.134518 179.7
[M-H]- 301.138024 176.5
[M+NH4]+ 320.179123 187.7
[M+K]+ 341.108458 174.7
[M+H-H2O]+ 285.142560 164.1
[M+HCOO]- 347.143501 188.9
[M+CH3COO]- 361.159151 202.3
[M+Na-2H]- 323.119966 171.6
[M]+ 302.14475142 177.5
[M]- 302.14584858 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

literature stripe

Patent stripe

patents stripe