CID 465165

183136-07-4

Structural Information

Molecular Formula
C13H16N2O3S
SMILES
CC(C)NC(=O)OCCN1C(=O)C2=CC=CC=C2S1
InChI
InChI=1S/C13H16N2O3S/c1-9(2)14-13(17)18-8-7-15-12(16)10-5-3-4-6-11(10)19-15/h3-6,9H,7-8H2,1-2H3,(H,14,17)
InChIKey
VSDNRRANHHCOOL-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.08817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09545 162.1
[M+Na]+ 303.07739 171.1
[M-H]- 279.08089 166.1
[M+NH4]+ 298.12199 180.3
[M+K]+ 319.05133 168.0
[M+H-H2O]+ 263.08543 155.5
[M+HCOO]- 325.08637 181.0
[M+CH3COO]- 339.10202 198.9
[M+Na-2H]- 301.06284 164.0
[M]+ 280.08762 168.9
[M]- 280.08872 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.