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
4
Annotation Hits

2
References

9229
Patents

286.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.0
[M+Na]+ 309.120958 171.9
[M-H]- 285.124464 174.2
[M+NH4]+ 304.165563 181.6
[M+K]+ 325.094898 170.6
[M+H-H2O]+ 269.129000 157.3
[M+HCOO]- 331.129941 192.1
[M+CH3COO]- 345.145591 208.5
[M+Na-2H]- 307.106406 170.4
[M]+ 286.13119142 169.2
[M]- 286.13228858 169.2
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