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 174.4
[M+Na]+ 351.09515 179.4
[M-H]- 327.09865 181.2
[M+NH4]+ 346.13975 187.2
[M+K]+ 367.06909 178.0
[M+H-H2O]+ 311.10319 165.6
[M+HCOO]- 373.10413 198.4
[M+CH3COO]- 387.11978 211.7
[M+Na-2H]- 349.08060 176.8
[M]+ 328.10538 176.7
[M]- 328.10648 176.7
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.