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]+ 301.15468 170.5
[M+Na]+ 323.13662 177.6
[M-H]- 299.14012 177.9
[M+NH4]+ 318.18122 185.5
[M+K]+ 339.11056 174.9
[M+H-H2O]+ 283.14466 162.2
[M+HCOO]- 345.14560 195.7
[M+CH3COO]- 359.16125 210.7
[M+Na-2H]- 321.12207 173.6
[M]+ 300.14685 173.6
[M]- 300.14795 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.