CID 3038278

24146-48-3

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CCOC(=O)/C(=C\1/NC(=O)CS1)/CCN(C)C
InChI
InChI=1S/C11H18N2O3S/c1-4-16-11(15)8(5-6-13(2)3)10-12-9(14)7-17-10/h4-7H2,1-3H3,(H,12,14)/b10-8-
InChIKey
OINSPNPXJNFQDV-NTMALXAHSA-N
Compound name
ethyl (2Z)-4-(dimethylamino)-2-(4-oxo-1,3-thiazolidin-2-ylidene)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10382 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.111096 161.3
[M+Na]+ 281.093038 165.7
[M-H]- 257.096544 162.9
[M+NH4]+ 276.137643 178.5
[M+K]+ 297.066978 164.2
[M+H-H2O]+ 241.101080 154.6
[M+HCOO]- 303.102021 175.5
[M+CH3COO]- 317.117671 195.3
[M+Na-2H]- 279.078486 157.6
[M]+ 258.10327142 162.3
[M]- 258.10436858 162.3
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.