CID 465164

183136-03-0

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
CCNC(=O)OCCN1C(=O)C2=CC=CC=C2S1
InChI
InChI=1S/C12H14N2O3S/c1-2-13-12(16)17-8-7-14-11(15)9-5-3-4-6-10(9)18-14/h3-6H,2,7-8H2,1H3,(H,13,16)
InChIKey
RVLGYHPWHGMHIQ-UHFFFAOYSA-N
Compound name
2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.0725 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 157.0
[M+Na]+ 289.06172 166.9
[M-H]- 265.06522 161.2
[M+NH4]+ 284.10632 175.9
[M+K]+ 305.03566 163.4
[M+H-H2O]+ 249.06976 150.5
[M+HCOO]- 311.07070 177.3
[M+CH3COO]- 325.08635 195.0
[M+Na-2H]- 287.04717 160.5
[M]+ 266.07195 164.1
[M]- 266.07305 164.1
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.