CID 310948

1-(4-ethoxyphenyl)-3-(3-fluorophenyl)urea

Structural Information

Molecular Formula
C15H15FN2O2
SMILES
CCOC1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)F
InChI
InChI=1S/C15H15FN2O2/c1-2-20-14-8-6-12(7-9-14)17-15(19)18-13-5-3-4-11(16)10-13/h3-10H,2H2,1H3,(H2,17,18,19)
InChIKey
KGSUFARBTCPSAD-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-3-(3-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.11176 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11904 160.9
[M+Na]+ 297.10098 167.3
[M-H]- 273.10448 166.4
[M+NH4]+ 292.14558 176.4
[M+K]+ 313.07492 163.7
[M+H-H2O]+ 257.10902 151.8
[M+HCOO]- 319.10996 185.6
[M+CH3COO]- 333.12561 202.7
[M+Na-2H]- 295.08643 165.9
[M]+ 274.11121 160.0
[M]- 274.11231 160.0
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

patents stripe