CID 19982710

13001-38-2

Structural Information

Molecular Formula
C24H16N2
SMILES
C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC=C(C=C3)C#N)C#N
InChI
InChI=1S/C24H16N2/c25-17-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-16-23-3-1-2-4-24(23)18-26/h1-16H/b6-5+,16-15+
InChIKey
OQVQNTRMZCGXIB-ICYHVJMASA-N
Compound name
2-[(E)-2-[4-[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

332.13135 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13863 202.3
[M+Na]+ 355.12057 213.9
[M+NH4]+ 350.16517 203.3
[M+K]+ 371.09451 199.5
[M-H]- 331.12407 195.8
[M+Na-2H]- 353.10602 204.1
[M]+ 332.13080 201.1
[M]- 332.13190 201.1
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