CID 295027

1-(2-methoxyphenyl)-3-(2,6-xylyl)urea

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C16H18N2O2/c1-11-7-6-8-12(2)15(11)18-16(19)17-13-9-4-5-10-14(13)20-3/h4-10H,1-3H3,(H2,17,18,19)
InChIKey
ZKJRFJOODYTUMB-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.13684 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 162.9
[M+Na]+ 293.126058 169.7
[M-H]- 269.129564 170.1
[M+NH4]+ 288.170663 178.9
[M+K]+ 309.099998 166.5
[M+H-H2O]+ 253.134100 154.8
[M+HCOO]- 315.135041 188.3
[M+CH3COO]- 329.150691 204.3
[M+Na-2H]- 291.111506 167.2
[M]+ 270.13629142 163.8
[M]- 270.13738858 163.8
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.