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]+ 308.19688 174.3
[M+Na]+ 330.17882 174.8
[M-H]- 306.18232 178.3
[M+NH4]+ 325.22342 184.7
[M+K]+ 346.15276 173.9
[M+H-H2O]+ 290.18686 164.3
[M+HCOO]- 352.18780 192.3
[M+CH3COO]- 366.20345 207.6
[M+Na-2H]- 328.16427 177.7
[M]+ 307.18905 171.6
[M]- 307.19015 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.