CID 465166

183136-12-1

Structural Information

Molecular Formula
C14H18N2O3S
SMILES
CC(C)(C)NC(=O)OCCN1C(=O)C2=CC=CC=C2S1
InChI
InChI=1S/C14H18N2O3S/c1-14(2,3)15-13(18)19-9-8-16-12(17)10-6-4-5-7-11(10)20-16/h4-7H,8-9H2,1-3H3,(H,15,18)
InChIKey
WZZYCYUKDAFNOZ-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10382 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11110 168.1
[M+Na]+ 317.09304 177.4
[M-H]- 293.09654 172.2
[M+NH4]+ 312.13764 186.0
[M+K]+ 333.06698 174.0
[M+H-H2O]+ 277.10108 161.9
[M+HCOO]- 339.10202 186.1
[M+CH3COO]- 353.11767 200.7
[M+Na-2H]- 315.07849 171.5
[M]+ 294.10327 175.3
[M]- 294.10437 175.3
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

No patent data available for this compound.