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
7
Annotation Hits

331
References

41618
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 188.1
[M+Na]+ 410.08779 202.0
[M+NH4]+ 405.13239 194.3
[M+K]+ 426.06173 197.1
[M-H]- 386.09129 192.6
[M+Na-2H]- 408.07324 196.9
[M]+ 387.09802 191.5
[M]- 387.09912 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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