CID 11641580

Iodiconazole

Structural Information

Molecular Formula
C19H19F2IN4O
SMILES
CN(CC1=CC=C(C=C1)I)CC(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C19H19F2IN4O/c1-25(9-14-2-5-16(22)6-3-14)10-19(27,11-26-13-23-12-24-26)17-7-4-15(20)8-18(17)21/h2-8,12-13,27H,9-11H2,1H3
InChIKey
VDBLUAHBFVLQSJ-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-[(4-iodophenyl)methyl-methylamino]-3-(1,2,4-triazol-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

55
Patents

484.05716 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.06444 193.2
[M+Na]+ 507.04638 193.3
[M-H]- 483.04988 189.4
[M+NH4]+ 502.09098 197.7
[M+K]+ 523.02032 193.4
[M+H-H2O]+ 467.05442 177.3
[M+HCOO]- 529.05536 205.2
[M+CH3COO]- 543.07101 226.4
[M+Na-2H]- 505.03183 183.7
[M]+ 484.05661 189.7
[M]- 484.05771 189.7
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