CID 6441374

79026-03-2

Structural Information

Molecular Formula
C24H16N2
SMILES
C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC(=CC=C3)C#N)C#N
InChI
InChI=1S/C24H16N2/c25-17-22-5-3-4-21(16-22)13-12-19-8-10-20(11-9-19)14-15-23-6-1-2-7-24(23)18-26/h1-16H/b13-12+,15-14+
InChIKey
JRVKAPLKKVWGKU-SQIWNDBBSA-N
Compound name
2-[(E)-2-[4-[(E)-2-(3-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

72
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 195.1
[M+Na]+ 355.12057 205.8
[M-H]- 331.12407 200.1
[M+NH4]+ 350.16517 203.5
[M+K]+ 371.09451 194.5
[M+H-H2O]+ 315.12861 177.6
[M+HCOO]- 377.12955 206.5
[M+CH3COO]- 391.14520 200.1
[M+Na-2H]- 353.10602 194.0
[M]+ 332.13080 185.7
[M]- 332.13190 185.7
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