CID 4200666

1,3-bis(2-(methoxycarbonyl)phenyl)urea

Structural Information

Molecular Formula
C17H16N2O5
SMILES
COC(=O)C1=CC=CC=C1NC(=O)NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C17H16N2O5/c1-23-15(20)11-7-3-5-9-13(11)18-17(22)19-14-10-6-4-8-12(14)16(21)24-2/h3-10H,1-2H3,(H2,18,19,22)
InChIKey
LTFWYIIOXUJVQT-UHFFFAOYSA-N
Compound name
methyl 2-[(2-methoxycarbonylphenyl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10593 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11321 175.3
[M+Na]+ 351.09515 185.4
[M+NH4]+ 346.13975 180.2
[M+K]+ 367.06909 181.1
[M-H]- 327.09865 177.9
[M+Na-2H]- 349.08060 181.4
[M]+ 328.10538 177.0
[M]- 328.10648 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.