CID 3070401

86398-85-8

Structural Information

Molecular Formula
C16H25N3O3
SMILES
CCOCC(CNC(=O)NC1=CC=CC=C1)N2CCOCC2
InChI
InChI=1S/C16H25N3O3/c1-2-21-13-15(19-8-10-22-11-9-19)12-17-16(20)18-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,17,18,20)
InChIKey
IXCULUSBOMOMHC-UHFFFAOYSA-N
Compound name
1-(3-ethoxy-2-morpholin-4-ylpropyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1896 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.196876 174.3
[M+Na]+ 330.178818 174.8
[M-H]- 306.182324 178.3
[M+NH4]+ 325.223423 184.7
[M+K]+ 346.152758 173.9
[M+H-H2O]+ 290.186860 164.3
[M+HCOO]- 352.187801 192.3
[M+CH3COO]- 366.203451 207.6
[M+Na-2H]- 328.164266 177.7
[M]+ 307.18905142 171.6
[M]- 307.19014858 171.6
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.