CID 3038278

Brn 1079282

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]+ 259.11110 161.3
[M+Na]+ 281.09304 165.7
[M-H]- 257.09654 162.9
[M+NH4]+ 276.13764 178.5
[M+K]+ 297.06698 164.2
[M+H-H2O]+ 241.10108 154.6
[M+HCOO]- 303.10202 175.5
[M+CH3COO]- 317.11767 195.3
[M+Na-2H]- 279.07849 157.6
[M]+ 258.10327 162.3
[M]- 258.10437 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.