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
7
Annotation Hits

0
References

37453
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

literature stripe

Patent stripe

patents stripe