CID 3062837

2(3h)-benzothiazolone, 6-ethoxy-4-methyl-

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CCOC1=CC2=C(C(=C1)C)NC(=O)S2
InChI
InChI=1S/C10H11NO2S/c1-3-13-7-4-6(2)9-8(5-7)14-10(12)11-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKey
CTPPNXZSWAHPNJ-UHFFFAOYSA-N
Compound name
6-ethoxy-4-methyl-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.05106 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 141.0
[M+Na]+ 232.04028 153.4
[M-H]- 208.04378 144.5
[M+NH4]+ 227.08488 162.3
[M+K]+ 248.01422 149.1
[M+H-H2O]+ 192.04832 135.9
[M+HCOO]- 254.04926 160.1
[M+CH3COO]- 268.06491 182.0
[M+Na-2H]- 230.02573 144.6
[M]+ 209.05051 146.8
[M]- 209.05161 146.8
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

patents stripe