CID 508437

Ethyl 3-methyl-2-[5-methyl-2-(9-methylcarbazol-3-yl)-4-oxo-thiazolidin-3-yl]butanoate

Structural Information

Molecular Formula
C24H28N2O3S
SMILES
CCOC(=O)C(C(C)C)N1C(SC(C1=O)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C
InChI
InChI=1S/C24H28N2O3S/c1-6-29-24(28)21(14(2)3)26-22(27)15(4)30-23(26)16-11-12-20-18(13-16)17-9-7-8-10-19(17)25(20)5/h7-15,21,23H,6H2,1-5H3
InChIKey
QUUOEKVSXDWQOQ-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-2-[5-methyl-2-(9-methylcarbazol-3-yl)-4-oxo-1,3-thiazolidin-3-yl]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.18207 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18935 205.5
[M+Na]+ 447.17129 213.8
[M-H]- 423.17479 212.3
[M+NH4]+ 442.21589 219.7
[M+K]+ 463.14523 209.1
[M+H-H2O]+ 407.17933 199.0
[M+HCOO]- 469.18027 216.5
[M+CH3COO]- 483.19592 229.6
[M+Na-2H]- 445.15674 198.5
[M]+ 424.18152 213.0
[M]- 424.18262 213.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.