CID 216873

37830-82-3

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₃

SMILES

CC1=C(C=CC(=C1)OC)N(C(=O)N)C(=O)NC

InChI

InChI=1S/C11H15N3O3/c1-7-6-8(17-3)4-5-9(7)14(10(12)15)11(16)13-2/h4-6H,1-3H3,(H2,12,15)(H,13,16)

InChIKey

FZLSVNBCARPXBP-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-(4-methoxy-2-methylphenyl)-3-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.11134 Da
Monoisotopic Mass: 1.8
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]+	238.118616	153.4
[M+Na]+	260.100558	159.4
[M-H]-	236.104064	158.4
[M+NH4]+	255.145163	170.8
[M+K]+	276.074498	159.7
[M+H-H2O]+	220.108600	146.1
[M+HCOO]-	282.109541	179.3
[M+CH3COO]-	296.125191	201.9
[M+Na-2H]-	258.086006	155.7
[M]+	237.11079142	154.1
[M]-	237.11188858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe