CID 5218723

72108-25-9

Structural Information

Molecular Formula
C30H24N2
SMILES
C1=CC=C(C=C1)C(CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)(C#N)C4=CC=CC=C4
InChI
InChI=1S/C30H24N2/c31-23-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)21-22-30(24-32,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-22H2
InChIKey
NSANGDFWEISFLU-UHFFFAOYSA-N
Compound name
2,2,5,5-tetraphenylhexanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

412.19394 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20122 220.6
[M+Na]+ 435.18316 228.8
[M-H]- 411.18666 225.3
[M+NH4]+ 430.22776 225.5
[M+K]+ 451.15710 216.2
[M+H-H2O]+ 395.19120 201.8
[M+HCOO]- 457.19214 228.3
[M+CH3COO]- 471.20779 222.8
[M+Na-2H]- 433.16861 219.9
[M]+ 412.19339 209.6
[M]- 412.19449 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

No literature data available for this compound.

Patent stripe

patents stripe