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

335
References

45287
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

literature stripe

Patent stripe

patents stripe