CID 99155

34365-21-4

Structural Information

Molecular Formula

C₁₀H₁₁N₃OS

SMILES

CN(C)C(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C10H11N3OS/c1-13(2)10(14)12-9-11-7-5-3-4-6-8(7)15-9/h3-6H,1-2H3,(H,11,12,14)

InChIKey

AMIJSEIHRANBNZ-UHFFFAOYSA-N

Compound name

3-(1,3-benzothiazol-2-yl)-1,1-dimethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 221.06229 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]+	222.06957	145.9
[M+Na]+	244.05151	156.9
[M+NH4]+	239.09611	154.7
[M+K]+	260.02545	151.1
[M-H]-	220.05501	148.9
[M+Na-2H]-	242.03696	152.2
[M]+	221.06174	148.6
[M]-	221.06284	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe