CID 208735

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

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H14N2O3/c20-14-10-16(22-15-9-5-4-8-13(14)15)19-17(21)18-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,18,19,21)
InChIKey
YSNWEMMCSIFQTN-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4-oxochromen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.3
[M+Na]+ 317.08965 172.4
[M-H]- 293.09315 173.7
[M+NH4]+ 312.13425 179.3
[M+K]+ 333.06359 169.2
[M+H-H2O]+ 277.09769 156.5
[M+HCOO]- 339.09863 189.5
[M+CH3COO]- 353.11428 205.6
[M+Na-2H]- 315.07510 173.9
[M]+ 294.09988 166.2
[M]- 294.10098 166.2
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.