CID 26576

Difenoxuron

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H18N2O3/c1-18(2)16(19)17-12-4-6-14(7-5-12)21-15-10-8-13(20-3)9-11-15/h4-11H,1-3H3,(H,17,19)
InChIKey
AMVYOVYGIJXTQB-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenoxy)phenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

8275
Patents

286.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 166.8
[M+Na]+ 309.12096 179.0
[M+NH4]+ 304.16556 174.1
[M+K]+ 325.09490 172.7
[M-H]- 285.12446 171.7
[M+Na-2H]- 307.10641 175.2
[M]+ 286.13119 169.8
[M]- 286.13229 169.8
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