CID 3060102

Brn 5157511

Structural Information

Molecular Formula
C24H20N2O3S
SMILES
CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)C3CN(C(=O)C3=O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N2O3S/c1-25(17-12-14-20(15-13-17)30-19-10-6-3-7-11-19)23(28)21-16-26(24(29)22(21)27)18-8-4-2-5-9-18/h2-15,21H,16H2,1H3
InChIKey
KSGCXNZAKLAMCU-UHFFFAOYSA-N
Compound name
N-methyl-4,5-dioxo-1-phenyl-N-(4-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11948 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12676 200.4
[M+Na]+ 439.10870 206.5
[M-H]- 415.11220 213.2
[M+NH4]+ 434.15330 211.2
[M+K]+ 455.08264 201.1
[M+H-H2O]+ 399.11674 190.3
[M+HCOO]- 461.11768 217.4
[M+CH3COO]- 475.13333 209.8
[M+Na-2H]- 437.09415 197.2
[M]+ 416.11893 202.1
[M]- 416.12003 202.1
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.