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]+ 341.09545 178.3
[M+Na]+ 363.07739 186.4
[M-H]- 339.08089 185.2
[M+NH4]+ 358.12199 193.4
[M+K]+ 379.05133 181.7
[M+H-H2O]+ 323.08543 170.3
[M+HCOO]- 385.08637 197.0
[M+CH3COO]- 399.10202 210.2
[M+Na-2H]- 361.06284 180.3
[M]+ 340.08762 184.4
[M]- 340.08872 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.