CID 372863

Nsc648553

Structural Information

Molecular Formula
C27H21NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H21NO2S/c1-20-16-18-23(19-17-20)31(29,30)28-25-15-9-8-14-24(25)26(21-10-4-2-5-11-21)27(28)22-12-6-3-7-13-22/h2-19H,1H3
InChIKey
REJLZBHFAFIOFB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonyl-2,3-diphenylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

423.1293 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13658 205.4
[M+Na]+ 446.11852 216.0
[M-H]- 422.12202 218.7
[M+NH4]+ 441.16312 217.0
[M+K]+ 462.09246 207.7
[M+H-H2O]+ 406.12656 195.5
[M+HCOO]- 468.12750 222.7
[M+CH3COO]- 482.14315 215.8
[M+Na-2H]- 444.10397 207.6
[M]+ 423.12875 209.6
[M]- 423.12985 209.6
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