CID 177546108

4-hydroxy-dechloro-metconazole

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)O)C
InChI
InChI=1S/C17H23N3O2/c1-16(2)8-7-14(9-13-3-5-15(21)6-4-13)17(16,22)10-20-12-18-11-19-20/h3-6,11-12,14,21-22H,7-10H2,1-2H3
InChIKey
WSFFLPYEIYHPEY-UHFFFAOYSA-N
Compound name
4-[[2-hydroxy-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)cyclopentyl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

301.17902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 169.2
[M+Na]+ 324.16824 177.3
[M-H]- 300.17174 173.4
[M+NH4]+ 319.21284 186.5
[M+K]+ 340.14218 172.6
[M+H-H2O]+ 284.17628 161.0
[M+HCOO]- 346.17722 186.5
[M+CH3COO]- 360.19287 179.8
[M+Na-2H]- 322.15369 170.2
[M]+ 301.17847 168.4
[M]- 301.17957 168.4
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.