CID 465162

183136-05-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

280.08817 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09545 161.5
[M+Na]+ 303.07739 170.9
[M-H]- 279.08089 165.5
[M+NH4]+ 298.12199 179.8
[M+K]+ 319.05133 167.2
[M+H-H2O]+ 263.08543 154.8
[M+HCOO]- 325.08637 181.5
[M+CH3COO]- 339.10202 198.0
[M+Na-2H]- 301.06284 164.5
[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.