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]+ 271.14412 162.9
[M+Na]+ 293.12606 169.7
[M-H]- 269.12956 170.1
[M+NH4]+ 288.17066 178.9
[M+K]+ 309.10000 166.5
[M+H-H2O]+ 253.13410 154.8
[M+HCOO]- 315.13504 188.3
[M+CH3COO]- 329.15069 204.3
[M+Na-2H]- 291.11151 167.2
[M]+ 270.13629 163.8
[M]- 270.13739 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.