CID 354832

Nsc607520

Structural Information

Molecular Formula
C18H15IN2O2S
SMILES
CC1C(=O)N(C2(S1)C3=C(C=CC(=C3)C)NC2=O)C4=CC=C(C=C4)I
InChI
InChI=1S/C18H15IN2O2S/c1-10-3-8-15-14(9-10)18(17(23)20-15)21(16(22)11(2)24-18)13-6-4-12(19)5-7-13/h3-9,11H,1-2H3,(H,20,23)
InChIKey
DTQXTTPKHWFOOT-UHFFFAOYSA-N
Compound name
3-(4-iodophenyl)-5,5'-dimethylspiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.9899 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99718 177.5
[M+Na]+ 472.97912 182.2
[M-H]- 448.98262 177.5
[M+NH4]+ 468.02372 191.2
[M+K]+ 488.95306 181.5
[M+H-H2O]+ 432.98716 168.2
[M+HCOO]- 494.98810 186.5
[M+CH3COO]- 509.00375 185.0
[M+Na-2H]- 470.96457 164.8
[M]+ 449.98935 176.3
[M]- 449.99045 176.3
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.