CID 23646431

850318-90-0

Structural Information

Molecular Formula
C24H22N4O5S2
SMILES
C1C(S(=O)(=O)NC1=O)C2=CC=C(C=C2)C[C@@H](C3=NC4=CC=CC=C4N3)NS(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H22N4O5S2/c29-23-15-22(35(32,33)28-23)17-12-10-16(11-13-17)14-21(24-25-19-8-4-5-9-20(19)26-24)27-34(30,31)18-6-2-1-3-7-18/h1-13,21-22,27H,14-15H2,(H,25,26)(H,28,29)/t21-,22?/m0/s1
InChIKey
FPVQYSDLOLMLEE-HMTLIYDFSA-N
Compound name
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

510.10315 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.11043 208.4
[M+Na]+ 533.09237 219.3
[M+NH4]+ 528.13697 213.9
[M+K]+ 549.06631 212.6
[M-H]- 509.09587 211.9
[M+Na-2H]- 531.07782 217.4
[M]+ 510.10260 211.7
[M]- 510.10370 211.7
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

patents stripe