CID 3070400

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

Structural Information

Molecular Formula
C22H28FN3O3
SMILES
CCOCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)F)N3CCOCC3
InChI
InChI=1S/C22H28FN3O3/c1-2-28-17-21(25-12-14-29-15-13-25)16-26(20-6-4-3-5-7-20)22(27)24-19-10-8-18(23)9-11-19/h3-11,21H,2,12-17H2,1H3,(H,24,27)
InChIKey
NTPRNZSQLPLDJT-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-(4-fluorophenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.21146 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21874 198.0
[M+Na]+ 424.20068 198.2
[M-H]- 400.20418 204.8
[M+NH4]+ 419.24528 204.7
[M+K]+ 440.17462 196.4
[M+H-H2O]+ 384.20872 185.2
[M+HCOO]- 446.20966 214.6
[M+CH3COO]- 460.22531 228.5
[M+Na-2H]- 422.18613 198.6
[M]+ 401.21091 195.2
[M]- 401.21201 195.2
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.