CID 237804

Nsc41665

Structural Information

Molecular Formula
C32H28N2
SMILES
C1=CC=C(C=C1)C(CCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C4=CC=CC=C4
InChI
InChI=1S/C32H28N2/c33-25-31(27-15-5-1-6-16-27,28-17-7-2-8-18-28)23-13-14-24-32(26-34,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-22H,13-14,23-24H2
InChIKey
CRFRCHLTAYEDAD-UHFFFAOYSA-N
Compound name
2,2,7,7-tetraphenyloctanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.22525 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.232526 225.5
[M+Na]+ 463.214468 233.1
[M-H]- 439.217974 229.9
[M+NH4]+ 458.259073 229.6
[M+K]+ 479.188408 220.2
[M+H-H2O]+ 423.222510 206.4
[M+HCOO]- 485.223451 232.8
[M+CH3COO]- 499.239101 227.1
[M+Na-2H]- 461.199916 224.1
[M]+ 440.22470142 214.9
[M]- 440.22579858 214.9
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

patents stripe