CID 5364079

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-VZUCSPMQSA-N
Compound name
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

62
References

40023
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 144.7
[M+Na]+ 221.06451 150.9
[M-H]- 197.06801 146.3
[M+NH4]+ 216.10911 161.3
[M+K]+ 237.03845 152.7
[M+H-H2O]+ 181.07255 131.5
[M+HCOO]- 243.07349 166.8
[M+CH3COO]- 257.08914 203.4
[M+Na-2H]- 219.04996 148.0
[M]+ 198.07474 140.3
[M]- 198.07584 140.3
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.