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]+ 315.170336 175.0
[M+Na]+ 337.152278 180.7
[M-H]- 313.155784 181.7
[M+NH4]+ 332.196883 189.0
[M+K]+ 353.126218 177.7
[M+H-H2O]+ 297.160320 166.1
[M+HCOO]- 359.161261 199.8
[M+CH3COO]- 373.176911 212.4
[M+Na-2H]- 335.137726 178.3
[M]+ 314.16251142 177.9
[M]- 314.16360858 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