CID 3059278

76267-43-1

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

CC1=CC=CC=C1NC(=O)N(C(=O)N)OC

InChI

InChI=1S/C10H13N3O3/c1-7-5-3-4-6-8(7)12-10(15)13(16-2)9(11)14/h3-6H,1-2H3,(H2,11,14)(H,12,15)

InChIKey

GNZXIISUTBKVLG-UHFFFAOYSA-N

Compound name

1-carbamoyl-1-methoxy-3-(2-methylphenyl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.09569 Da
Monoisotopic Mass: 1.2
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]+	224.10297	148.9
[M+Na]+	246.08491	154.4
[M-H]-	222.08841	153.6
[M+NH4]+	241.12951	166.5
[M+K]+	262.05885	154.8
[M+H-H2O]+	206.09295	141.5
[M+HCOO]-	268.09389	175.1
[M+CH3COO]-	282.10954	197.6
[M+Na-2H]-	244.07036	152.4
[M]+	223.09514	148.8
[M]-	223.09624	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe