CID 175653

95882-71-6

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂S

SMILES

CCC(C)C1=NSC(=C1)NC(=O)N(C)OC

InChI

InChI=1S/C10H17N3O2S/c1-5-7(2)8-6-9(16-12-8)11-10(14)13(3)15-4/h6-7H,5H2,1-4H3,(H,11,14)

InChIKey

PKUYQLJYVBJSJS-UHFFFAOYSA-N

Compound name

3-(3-butan-2-yl-1,2-thiazol-5-yl)-1-methoxy-1-methylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.10414 Da
Monoisotopic Mass: 2.1
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]+	244.111416	156.3
[M+Na]+	266.093358	162.4
[M-H]-	242.096864	160.3
[M+NH4]+	261.137963	175.0
[M+K]+	282.067298	162.1
[M+H-H2O]+	226.101400	148.9
[M+HCOO]-	288.102341	175.7
[M+CH3COO]-	302.117991	198.7
[M+Na-2H]-	264.078806	155.8
[M]+	243.10359142	160.9
[M]-	243.10468858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe