CID 303224

1-(2,5-diethoxyphenyl)-3-(o-tolyl)urea

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCOC1=CC(=C(C=C1)OCC)NC(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C18H22N2O3/c1-4-22-14-10-11-17(23-5-2)16(12-14)20-18(21)19-15-9-7-6-8-13(15)3/h6-12H,4-5H2,1-3H3,(H2,19,20,21)
InChIKey
UOVFMXVZCAPJMH-UHFFFAOYSA-N
Compound name
1-(2,5-diethoxyphenyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 175.0
[M+Na]+ 337.15228 180.7
[M-H]- 313.15578 181.7
[M+NH4]+ 332.19688 189.0
[M+K]+ 353.12622 177.7
[M+H-H2O]+ 297.16032 166.1
[M+HCOO]- 359.16126 199.8
[M+CH3COO]- 373.17691 212.4
[M+Na-2H]- 335.13773 178.3
[M]+ 314.16251 177.9
[M]- 314.16361 177.9
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

patents stripe