CID 6437806

1,4-bis(2-cyanostyryl)benzene

Structural Information

Molecular Formula
C24H16N2
SMILES
C1=CC=C(C(=C1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC=CC=C3C#N)C#N
InChI
InChI=1S/C24H16N2/c25-17-23-7-3-1-5-21(23)15-13-19-9-11-20(12-10-19)14-16-22-6-2-4-8-24(22)18-26/h1-16H/b15-13+,16-14+
InChIKey
RBABXJPJIHMBBP-WXUKJITCSA-N
Compound name
2-[(E)-2-[4-[(E)-2-(2-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

327
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

literature stripe

Patent stripe

patents stripe