CID 86211

Ipconazole

Structural Information

Molecular Formula
C18H24ClN3O
SMILES
CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3
InChIKey
QTYCMDBMOLSEAM-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

39650
Patents

333.1608 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16808 179.2
[M+Na]+ 356.15002 186.7
[M-H]- 332.15352 183.8
[M+NH4]+ 351.19462 194.5
[M+K]+ 372.12396 180.6
[M+H-H2O]+ 316.15806 170.0
[M+HCOO]- 378.15900 191.5
[M+CH3COO]- 392.17465 188.9
[M+Na-2H]- 354.13547 176.8
[M]+ 333.16025 179.8
[M]- 333.16135 179.8
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.