CID 3042361

Brn 1659021

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]+ 325.11828 174.5
[M+Na]+ 347.10022 188.4
[M+NH4]+ 342.14482 181.6
[M+K]+ 363.07416 181.4
[M-H]- 323.10372 181.0
[M+Na-2H]- 345.08567 182.3
[M]+ 324.11045 178.3
[M]- 324.11155 178.3
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.