CID 3070391

N-(3-ethoxy-2-(4-morpholinyl)propyl)-n'-(4-fluorophenyl)urea

Structural Information

Molecular Formula
C16H24FN3O3
SMILES
CCOCC(CNC(=O)NC1=CC=C(C=C1)F)N2CCOCC2
InChI
InChI=1S/C16H24FN3O3/c1-2-22-12-15(20-7-9-23-10-8-20)11-18-16(21)19-14-5-3-13(17)4-6-14/h3-6,15H,2,7-12H2,1H3,(H2,18,19,21)
InChIKey
VBSYTXBDDBZWKO-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.18018 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18746 177.8
[M+Na]+ 348.16940 179.4
[M-H]- 324.17290 180.7
[M+NH4]+ 343.21400 187.7
[M+K]+ 364.14334 178.0
[M+H-H2O]+ 308.17744 167.1
[M+HCOO]- 370.17838 194.7
[M+CH3COO]- 384.19403 211.5
[M+Na-2H]- 346.15485 179.8
[M]+ 325.17963 174.4
[M]- 325.18073 174.4
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.