CID 217383

38748-24-2

Structural Information

Molecular Formula

C₁₉H₃₃N₃O₃

SMILES

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

InChI

InChI=1S/C19H33N3O3/c1-4-5-6-7-12-20-19(24)22-16-8-10-18(11-9-16)25-14-17(23)13-21-15(2)3/h8-11,15,17,21,23H,4-7,12-14H2,1-3H3,(H2,20,22,24)

InChIKey

CFJMHEIWIQRQOI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 351.2522 Da
Monoisotopic Mass: 3.0
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]+	352.25948	190.0
[M+Na]+	374.24142	190.3
[M-H]-	350.24492	190.6
[M+NH4]+	369.28602	201.1
[M+K]+	390.21536	188.0
[M+H-H2O]+	334.24946	181.2
[M+HCOO]-	396.25040	210.6
[M+CH3COO]-	410.26605	221.9
[M+Na-2H]-	372.22687	189.0
[M]+	351.25165	191.1
[M]-	351.25275	191.1

Literature stripe

literature stripe

Patent stripe

patents stripe