CID 86247958

894427-09-9

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂S

SMILES

CC(C)(C)OC(=O)NC1=NC2=C(S1)C=CC(=C2)N

InChI

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

InChIKey

YCAGISXZTDRUFP-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-amino-1,3-benzothiazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 265.0885 Da
Monoisotopic Mass: 2.6
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]+	266.095776	159.6
[M+Na]+	288.077718	168.8
[M-H]-	264.081224	163.4
[M+NH4]+	283.122323	178.1
[M+K]+	304.051658	165.5
[M+H-H2O]+	248.085760	153.4
[M+HCOO]-	310.086701	178.2
[M+CH3COO]-	324.102351	197.9
[M+Na-2H]-	286.063166	163.5
[M]+	265.08795142	163.6
[M]-	265.08904858	163.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe