CID 217783

39617-71-5

Structural Information

Molecular Formula

C₁₅H₂₅N₃O₃

SMILES

CCNC(=O)NC1=CC=C(C=C1)OCC(CNC(C)C)O

InChI

InChI=1S/C15H25N3O3/c1-4-16-15(20)18-12-5-7-14(8-6-12)21-10-13(19)9-17-11(2)3/h5-8,11,13,17,19H,4,9-10H2,1-3H3,(H2,16,18,20)

InChIKey

IPCBUDMIMKUPSQ-UHFFFAOYSA-N

Compound name

1-ethyl-3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 295.1896 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.19688	172.4
[M+Na]+	318.17882	174.4
[M-H]-	294.18232	173.8
[M+NH4]+	313.22342	185.8
[M+K]+	334.15276	173.0
[M+H-H2O]+	278.18686	164.3
[M+HCOO]-	340.18780	194.3
[M+CH3COO]-	354.20345	210.0
[M+Na-2H]-	316.16427	173.3
[M]+	295.18905	172.1
[M]-	295.19015	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe