CID 465163

183136-09-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10382 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11110 166.0
[M+Na]+ 317.09304 175.0
[M-H]- 293.09654 169.7
[M+NH4]+ 312.13764 183.7
[M+K]+ 333.06698 171.0
[M+H-H2O]+ 277.10108 159.1
[M+HCOO]- 339.10202 185.6
[M+CH3COO]- 353.11767 201.0
[M+Na-2H]- 315.07849 168.5
[M]+ 294.10327 173.7
[M]- 294.10437 173.7
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.