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

2
Patents

440.22525 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23253 225.5
[M+Na]+ 463.21447 233.1
[M-H]- 439.21797 229.9
[M+NH4]+ 458.25907 229.6
[M+K]+ 479.18841 220.2
[M+H-H2O]+ 423.22251 206.4
[M+HCOO]- 485.22345 232.8
[M+CH3COO]- 499.23910 227.1
[M+Na-2H]- 461.19992 224.1
[M]+ 440.22470 214.9
[M]- 440.22580 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