CID 3373225

N,n'-bis(2-methoxy-5-methylphenyl)urea

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)NC2=C(C=CC(=C2)C)OC
InChI
InChI=1S/C17H20N2O3/c1-11-5-7-15(21-3)13(9-11)18-17(20)19-14-10-12(2)6-8-16(14)22-4/h5-10H,1-4H3,(H2,18,19,20)
InChIKey
RRLDHAKLXILFIG-UHFFFAOYSA-N
Compound name
1,3-bis(2-methoxy-5-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.154676 170.5
[M+Na]+ 323.136618 177.6
[M-H]- 299.140124 177.9
[M+NH4]+ 318.181223 185.5
[M+K]+ 339.110558 174.9
[M+H-H2O]+ 283.144660 162.2
[M+HCOO]- 345.145601 195.7
[M+CH3COO]- 359.161251 210.7
[M+Na-2H]- 321.122066 173.6
[M]+ 300.14685142 173.6
[M]- 300.14794858 173.6
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.