CID 2813235

1-(2-morpholin-4-ylphenyl)-3-phenylurea

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1COCCN1C2=CC=CC=C2NC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H19N3O2/c21-17(18-14-6-2-1-3-7-14)19-15-8-4-5-9-16(15)20-10-12-22-13-11-20/h1-9H,10-13H2,(H2,18,19,21)
InChIKey
RTFCOVWMHWUGIH-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

297.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.155016 169.0
[M+Na]+ 320.136958 171.8
[M-H]- 296.140464 176.7
[M+NH4]+ 315.181563 179.7
[M+K]+ 336.110898 168.9
[M+H-H2O]+ 280.145000 158.5
[M+HCOO]- 342.145941 188.8
[M+CH3COO]- 356.161591 178.4
[M+Na-2H]- 318.122406 174.8
[M]+ 297.14719142 163.6
[M]- 297.14828858 163.6
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

patents stripe