CID 11578610

Cyantraniliprole

Structural Information

Molecular Formula
C19H14BrClN6O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N
InChI
InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)
InChIKey
DVBUIBGJRQBEDP-UHFFFAOYSA-N
Compound name
5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

149
References

17313
Patents

472.005 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.01228 201.3
[M+Na]+ 494.99422 205.4
[M+NH4]+ 490.03882 200.4
[M+K]+ 510.96816 202.8
[M-H]- 470.99772 197.0
[M+Na-2H]- 492.97967 202.0
[M]+ 472.00445 199.0
[M]- 472.00555 199.0
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

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