CID 353751

Nsc602860

Structural Information

Molecular Formula
C27H24N2O4S
SMILES
CCC1=CC=C(C=C1)N2C(=O)C(SC23C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)CC(=O)O
InChI
InChI=1S/C27H24N2O4S/c1-2-18-12-14-20(15-13-18)29-25(32)23(16-24(30)31)34-27(29)21-10-6-7-11-22(21)28(26(27)33)17-19-8-4-3-5-9-19/h3-15,23H,2,16-17H2,1H3,(H,30,31)
InChIKey
IOQUCOFHSRKGBG-UHFFFAOYSA-N
Compound name
2-[1'-benzyl-3-(4-ethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1457 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.15298 214.9
[M+Na]+ 495.13492 223.2
[M-H]- 471.13842 224.5
[M+NH4]+ 490.17952 226.8
[M+K]+ 511.10886 216.3
[M+H-H2O]+ 455.14296 206.7
[M+HCOO]- 517.14390 226.1
[M+CH3COO]- 531.15955 223.1
[M+Na-2H]- 493.12037 209.9
[M]+ 472.14515 217.9
[M]- 472.14625 217.9
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.