CID 162396135

Triticonazole tp2

Structural Information

Molecular Formula
C17H20ClN3O2
SMILES
CC1(C(CC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)O)C
InChI
InChI=1S/C17H20ClN3O2/c1-16(2)15(22)8-13(7-12-3-5-14(18)6-4-12)17(16,23)9-21-11-19-10-20-21/h3-7,10-11,15,22-23H,8-9H2,1-2H3
InChIKey
VTNIIUWWBBVSJG-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

333.1244 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13168 174.5
[M+Na]+ 356.11362 186.7
[M+NH4]+ 351.15822 183.6
[M+K]+ 372.08756 180.2
[M-H]- 332.11712 176.6
[M+Na-2H]- 354.09907 182.9
[M]+ 333.12385 177.2
[M]- 333.12495 177.2
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

No patent data available for this compound.