CID 11348992

Oxpoconazole

Structural Information

Molecular Formula
C19H24ClN3O2
SMILES
CC1(COC(N1C(=O)N2C=CN=C2)(C)CCCC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H24ClN3O2/c1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKey
FJBGIXKIXPUXBY-UHFFFAOYSA-N
Compound name
[2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

19493
Patents

361.1557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.16298 182.8
[M+Na]+ 384.14492 191.7
[M-H]- 360.14842 189.6
[M+NH4]+ 379.18952 198.4
[M+K]+ 400.11886 187.5
[M+H-H2O]+ 344.15296 174.1
[M+HCOO]- 406.15390 195.8
[M+CH3COO]- 420.16955 193.4
[M+Na-2H]- 382.13037 182.2
[M]+ 361.15515 187.0
[M]- 361.15625 187.0
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