CID 360719

Nsc623055

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
CCOC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H16N2O3S/c1-2-23-15-9-5-3-7-12(15)20-18(22)14(21)11-17-19-13-8-4-6-10-16(13)24-17/h3-10H,2,11H2,1H3,(H,20,22)
InChIKey
RWELTKNQSGFVBV-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-N-(2-ethoxyphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.08817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.095446 178.3
[M+Na]+ 363.077388 186.4
[M-H]- 339.080894 185.2
[M+NH4]+ 358.121993 193.4
[M+K]+ 379.051328 181.7
[M+H-H2O]+ 323.085430 170.3
[M+HCOO]- 385.086371 197.0
[M+CH3COO]- 399.102021 210.2
[M+Na-2H]- 361.062836 180.3
[M]+ 340.08762142 184.4
[M]- 340.08871858 184.4
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.