CID 2138685

5968-99-0

Structural Information

Molecular Formula
C15H17NO4S
SMILES
CCOC(=O)C(=C1N(C2=CC=CC=C2S1)C)C(=O)OCC
InChI
InChI=1S/C15H17NO4S/c1-4-19-14(17)12(15(18)20-5-2)13-16(3)10-8-6-7-9-11(10)21-13/h6-9H,4-5H2,1-3H3
InChIKey
GUXDETKWUGYWHI-UHFFFAOYSA-N
Compound name
diethyl 2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09511 171.0
[M+Na]+ 330.07705 179.7
[M+NH4]+ 325.12165 177.1
[M+K]+ 346.05099 175.1
[M-H]- 306.08055 170.2
[M+Na-2H]- 328.06250 172.2
[M]+ 307.08728 172.1
[M]- 307.08838 172.1
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.