CID 854169

28953-15-3

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CCOC(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H10N2O2S/c1-2-14-10(13)12-9-11-7-5-3-4-6-8(7)15-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKey
VBEIBBOLUSEKTP-UHFFFAOYSA-N
Compound name
ethyl N-(1,3-benzothiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

222.0463 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 145.1
[M+Na]+ 245.035518 155.1
[M-H]- 221.039024 149.3
[M+NH4]+ 240.080123 165.7
[M+K]+ 261.009458 152.1
[M+H-H2O]+ 205.043560 138.9
[M+HCOO]- 267.044501 165.8
[M+CH3COO]- 281.060151 186.5
[M+Na-2H]- 243.020966 150.2
[M]+ 222.04575142 150.5
[M]- 222.04684858 150.5
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

patents stripe