CID 6422843

Pyraclostrobin

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
InChIKey
HZRSNVGNWUDEFX-UHFFFAOYSA-N
Compound name
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

338
References

46409
Patents

387.09857 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 188.0
[M+Na]+ 410.08779 195.7
[M-H]- 386.09129 196.9
[M+NH4]+ 405.13239 199.3
[M+K]+ 426.06173 192.1
[M+H-H2O]+ 370.09583 177.4
[M+HCOO]- 432.09677 206.9
[M+CH3COO]- 446.11242 220.2
[M+Na-2H]- 408.07324 189.4
[M]+ 387.09802 196.0
[M]- 387.09912 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.