CID 5361250

Cymoxanil

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CCNC(=O)NC(=O)/C(=N\OC)/C#N
InChI
InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5-
InChIKey
XERJKGMBORTKEO-WZUFQYTHSA-N
Compound name
(1Z)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

62
References

34023
Patents

198.07529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 148.1
[M+Na]+ 221.06451 153.6
[M+NH4]+ 216.10911 149.6
[M+K]+ 237.03845 147.8
[M-H]- 197.06801 139.7
[M+Na-2H]- 219.04996 147.1
[M]+ 198.07474 144.9
[M]- 198.07584 144.9
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