CID 353748

Nsc602857

Structural Information

Molecular Formula
C18H15BrN2O2S
SMILES
CC1C(=O)N(C2(S1)C3=C(C=CC(=C3)C)NC2=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H15BrN2O2S/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
WNGKAGGVWCDUSV-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-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

402.00375 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.01103 180.0
[M+Na]+ 424.99297 194.9
[M-H]- 400.99647 190.1
[M+NH4]+ 420.03757 200.2
[M+K]+ 440.96691 181.6
[M+H-H2O]+ 385.00101 181.4
[M+HCOO]- 447.00195 192.2
[M+CH3COO]- 461.01760 193.5
[M+Na-2H]- 422.97842 179.8
[M]+ 402.00320 200.2
[M]- 402.00430 200.2
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.