CID 6604471

Methiazole

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂S

SMILES

CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C12H15N3O2S/c1-7(2)18-8-4-5-9-10(6-8)14-11(13-9)15-12(16)17-3/h4-7H,1-3H3,(H2,13,14,15,16)

InChIKey

SXJIZQPZESTWLD-UHFFFAOYSA-N

Compound name

methyl N-(6-propan-2-ylsulfanyl-1H-benzimidazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 239
Patents: 265.0885 Da
Monoisotopic Mass: 2.8
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]+	266.09578	159.0
[M+Na]+	288.07772	169.4
[M+NH4]+	283.12232	165.8
[M+K]+	304.05166	164.3
[M-H]-	264.08122	159.3
[M+Na-2H]-	286.06317	162.6
[M]+	265.08795	160.7
[M]-	265.08905	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe