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]+ 295.107706 165.3
[M+Na]+ 317.089648 172.4
[M-H]- 293.093154 173.7
[M+NH4]+ 312.134253 179.3
[M+K]+ 333.063588 169.2
[M+H-H2O]+ 277.097690 156.5
[M+HCOO]- 339.098631 189.5
[M+CH3COO]- 353.114281 205.6
[M+Na-2H]- 315.075096 173.9
[M]+ 294.09988142 166.2
[M]- 294.10097858 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.