CID 11500973

Methiozolin

Structural Information

Molecular Formula
C17H17F2NO2S
SMILES
CC1=C(SC=C1)C2=NOC(C2)(C)COCC3=C(C=CC=C3F)F
InChI
InChI=1S/C17H17F2NO2S/c1-11-6-7-23-16(11)15-8-17(2,22-20-15)10-21-9-12-13(18)4-3-5-14(12)19/h3-7H,8-10H2,1-2H3
InChIKey
OPEJGICLTMWFNQ-UHFFFAOYSA-N
Compound name
5-[(2,6-difluorophenyl)methoxymethyl]-5-methyl-3-(3-methylthiophen-2-yl)-4H-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

5849
Patents

337.09482 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10210 172.5
[M+Na]+ 360.08404 183.5
[M-H]- 336.08754 180.6
[M+NH4]+ 355.12864 190.4
[M+K]+ 376.05798 179.9
[M+H-H2O]+ 320.09208 164.9
[M+HCOO]- 382.09302 189.2
[M+CH3COO]- 396.10867 185.0
[M+Na-2H]- 358.06949 170.6
[M]+ 337.09427 177.0
[M]- 337.09537 177.0
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