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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09578 159.5
[M+Na]+ 288.07772 169.1
[M+NH4]+ 283.12232 166.7
[M+K]+ 304.05166 164.5
[M-H]- 264.08122 160.8
[M+Na-2H]- 286.06317 163.8
[M]+ 265.08795 161.5
[M]- 265.08905 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe