CID 496181

Nsc681323

Structural Information

Molecular Formula
C35H30N2O2S
SMILES
C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C35H30N2O2S/c36-27-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)34(29-18-8-2-9-19-29)33(26-28-16-6-1-7-17-28)37-40(38,39)32-24-14-5-15-25-32/h1-25,33-34,37H,26H2
InChIKey
QZCPZALVARZXKU-UHFFFAOYSA-N
Compound name
N-(4-cyano-1,3,4,4-tetraphenylbutan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.2028 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.21008 250.9
[M+Na]+ 565.19202 255.4
[M-H]- 541.19552 259.8
[M+NH4]+ 560.23662 252.4
[M+K]+ 581.16596 243.9
[M+H-H2O]+ 525.20006 232.5
[M+HCOO]- 587.20100 259.3
[M+CH3COO]- 601.21665 253.1
[M+Na-2H]- 563.17747 250.9
[M]+ 542.20225 243.0
[M]- 542.20335 243.0
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.