CID 162396134

Triticonazole tp1

Structural Information

Molecular Formula
C17H20ClN3O2
SMILES
CC1C(C(C(=CC2=CC=C(C=C2)Cl)C1O)(CN3C=NC=N3)O)C
InChI
InChI=1S/C17H20ClN3O2/c1-11-12(2)17(23,8-21-10-19-9-20-21)15(16(11)22)7-13-3-5-14(18)6-4-13/h3-7,9-12,16,22-23H,8H2,1-2H3
InChIKey
KJFFNBBBJTWQTO-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methylidene]-4,5-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13168 177.6
[M+Na]+ 356.11362 187.4
[M-H]- 332.11712 181.8
[M+NH4]+ 351.15822 192.8
[M+K]+ 372.08756 180.2
[M+H-H2O]+ 316.12166 169.6
[M+HCOO]- 378.12260 190.1
[M+CH3COO]- 392.13825 187.8
[M+Na-2H]- 354.09907 175.2
[M]+ 333.12385 178.1
[M]- 333.12495 178.1
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.