CID 3077894

Brn 4874456

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂S

SMILES

CCC(C)(C1=CC(=O)SC2=NC3=CC=CC=C3N12)O

InChI

InChI=1S/C14H14N2O2S/c1-3-14(2,18)11-8-12(17)19-13-15-9-6-4-5-7-10(9)16(11)13/h4-8,18H,3H2,1-2H3

InChIKey

VQQOIDIERBQNQR-UHFFFAOYSA-N

Compound name

4-(2-hydroxybutan-2-yl)-[1,3]thiazino[3,2-a]benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.0776 Da
Monoisotopic Mass: 2.3
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]+	275.084876	161.9
[M+Na]+	297.066818	174.2
[M-H]-	273.070324	164.8
[M+NH4]+	292.111423	180.1
[M+K]+	313.040758	168.8
[M+H-H2O]+	257.074860	156.1
[M+HCOO]-	319.075801	176.7
[M+CH3COO]-	333.091451	174.4
[M+Na-2H]-	295.052266	167.4
[M]+	274.07705142	168.0
[M]-	274.07814858	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.