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 173.4
[M+Na]+ 347.10022 180.7
[M-H]- 323.10372 181.9
[M+NH4]+ 342.14482 186.3
[M+K]+ 363.07416 178.2
[M+H-H2O]+ 307.10826 164.2
[M+HCOO]- 369.10920 197.3
[M+CH3COO]- 383.12485 212.1
[M+Na-2H]- 345.08567 180.8
[M]+ 324.11045 176.4
[M]- 324.11155 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.