CID 3060929

C 3145

Structural Information

Molecular Formula

C₁₅H₂₅N₃O

SMILES

CCN(CC)CCNC(=O)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C15H25N3O/c1-5-18(6-2)11-10-16-15(19)17-14-12(3)8-7-9-13(14)4/h7-9H,5-6,10-11H2,1-4H3,(H2,16,17,19)

InChIKey

DCTITFAMTSDORB-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-3-(2,6-dimethylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 263.19977 Da
Monoisotopic Mass: 2.4
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]+	264.207046	166.4
[M+Na]+	286.188988	170.8
[M-H]-	262.192494	171.0
[M+NH4]+	281.233593	183.2
[M+K]+	302.162928	169.3
[M+H-H2O]+	246.197030	158.6
[M+HCOO]-	308.197971	191.9
[M+CH3COO]-	322.213621	210.8
[M+Na-2H]-	284.174436	168.7
[M]+	263.19922142	168.2
[M]-	263.20031858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe