CID 3042361

Urea, n-(4-ethoxyphenyl)-n'-(4-oxo-4h-1-benzopyran-2-yl)-

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCOC1=CC=C(C=C1)NC(=O)NC2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H16N2O4/c1-2-23-13-9-7-12(8-10-13)19-18(22)20-17-11-15(21)14-5-3-4-6-16(14)24-17/h3-11H,2H2,1H3,(H2,19,20,22)
InChIKey
UCGDEDCZXNKSRU-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-(4-oxochromen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.111 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 173.4
[M+Na]+ 347.100218 180.7
[M-H]- 323.103724 181.9
[M+NH4]+ 342.144823 186.3
[M+K]+ 363.074158 178.2
[M+H-H2O]+ 307.108260 164.2
[M+HCOO]- 369.109201 197.3
[M+CH3COO]- 383.124851 212.1
[M+Na-2H]- 345.085666 180.8
[M]+ 324.11045142 176.4
[M]- 324.11154858 176.4
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.