CID 392289

Nsc692423

Structural Information

Molecular Formula
C35H27N3O4S2
SMILES
C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2)(C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)NS(=O)(=O)C7=CC=CC=C7
InChI
InChI=1S/C35H27N3O4S2/c39-43(40,29-18-6-2-7-19-29)37-35(28-16-4-1-5-17-28,33-24-26-14-10-12-22-31(26)36-33)34-25-27-15-11-13-23-32(27)38(34)44(41,42)30-20-8-3-9-21-30/h1-25,36-37H
InChIKey
CUBUZXNHXLGVLY-UHFFFAOYSA-N
Compound name
N-[[1-(benzenesulfonyl)indol-2-yl]-(1H-indol-2-yl)-phenylmethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.1443 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.15158 243.3
[M+Na]+ 640.13352 251.7
[M-H]- 616.13702 257.2
[M+NH4]+ 635.17812 247.0
[M+K]+ 656.10746 244.0
[M+H-H2O]+ 600.14156 235.7
[M+HCOO]- 662.14250 252.6
[M+CH3COO]- 676.15815 249.3
[M+Na-2H]- 638.11897 250.5
[M]+ 617.14375 247.8
[M]- 617.14485 247.8
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.