CID 59775866

Tert-butyl n-(2-methyl-1,3-benzothiazol-6-yl)carbamate

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CC1=NC2=C(S1)C=C(C=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H16N2O2S/c1-8-14-10-6-5-9(7-11(10)18-8)15-12(16)17-13(2,3)4/h5-7H,1-4H3,(H,15,16)
InChIKey
HSTBRTQQJYILQS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-1,3-benzothiazol-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.09326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 160.7
[M+Na]+ 287.08248 170.5
[M-H]- 263.08598 165.0
[M+NH4]+ 282.12708 180.0
[M+K]+ 303.05642 167.3
[M+H-H2O]+ 247.09052 154.8
[M+HCOO]- 309.09146 178.7
[M+CH3COO]- 323.10711 196.4
[M+Na-2H]- 285.06793 164.4
[M]+ 264.09271 166.8
[M]- 264.09381 166.8
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