CID 91612

Dimefuron

Structural Information

Molecular Formula
C15H19ClN4O3
SMILES
CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2)NC(=O)N(C)C)Cl
InChI
InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)
InChIKey
DHWRNDJOGMTCPB-UHFFFAOYSA-N
Compound name
3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

15347
Patents

338.11456 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12184 177.6
[M+Na]+ 361.10378 189.0
[M+NH4]+ 356.14838 182.7
[M+K]+ 377.07772 187.0
[M-H]- 337.10728 180.5
[M+Na-2H]- 359.08923 182.4
[M]+ 338.11401 180.1
[M]- 338.11511 180.1
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