CID 379534

Nsc664207

Structural Information

Molecular Formula
C28H23NO2S3
SMILES
C1=CC=C(C=C1)SC2=C(N(C3=CC=CC=C32)CCS(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5
InChI
InChI=1S/C28H23NO2S3/c30-34(31,24-16-8-3-9-17-24)21-20-29-26-19-11-10-18-25(26)27(32-22-12-4-1-5-13-22)28(29)33-23-14-6-2-7-15-23/h1-19H,20-21H2
InChIKey
ZNAPVRQWZKVINK-UHFFFAOYSA-N
Compound name
1-[2-(benzenesulfonyl)ethyl]-2,3-bis(phenylsulfanyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.08908 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.09636 219.4
[M+Na]+ 524.07830 229.8
[M-H]- 500.08180 230.3
[M+NH4]+ 519.12290 228.5
[M+K]+ 540.05224 219.2
[M+H-H2O]+ 484.08634 211.6
[M+HCOO]- 546.08728 227.0
[M+CH3COO]- 560.10293 227.2
[M+Na-2H]- 522.06375 221.3
[M]+ 501.08853 224.1
[M]- 501.08963 224.1
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.