CID 207894

Brn 2134858

Structural Information

Molecular Formula

C₁₃H₂₁N₃O₃

SMILES

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

InChI

InChI=1S/C13H21N3O3/c1-9(2)15-7-11(17)8-19-12-5-3-10(4-6-12)16-13(14)18/h3-6,9,11,15,17H,7-8H2,1-2H3,(H3,14,16,18)

InChIKey

FGMUQNDVAWYYSW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 267.1583 Da
Monoisotopic Mass: 0.2
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]+	268.16558	163.4
[M+Na]+	290.14752	166.2
[M-H]-	266.15102	164.6
[M+NH4]+	285.19212	177.6
[M+K]+	306.12146	164.9
[M+H-H2O]+	250.15556	155.7
[M+HCOO]-	312.15650	185.3
[M+CH3COO]-	326.17215	204.1
[M+Na-2H]-	288.13297	164.3
[M]+	267.15775	161.5
[M]-	267.15885	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe