CID 217348

Ici 77163

Structural Information

Molecular Formula

C₁₄H₂₃N₃O₃

SMILES

CC(C)NCC(COC1=CC=C(C=C1)NC(=O)NC)O

InChI

InChI=1S/C14H23N3O3/c1-10(2)16-8-12(18)9-20-13-6-4-11(5-7-13)17-14(19)15-3/h4-7,10,12,16,18H,8-9H2,1-3H3,(H2,15,17,19)

InChIKey

ZWMOWFJMDHZCNJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 281.17395 Da
Monoisotopic Mass: 0.6
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]+	282.18123	168.4
[M+Na]+	304.16317	174.7
[M+NH4]+	299.20777	173.3
[M+K]+	320.13711	171.1
[M-H]-	280.16667	169.2
[M+Na-2H]-	302.14862	171.2
[M]+	281.17340	168.9
[M]-	281.17450	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe