CID 100502

72950-02-8

Structural Information

Molecular Formula
C24H16N2
SMILES
C#CC1=CC(=CC=C1)N=CC2=CC=C(C=C2)C=NC3=CC=CC(=C3)C#C
InChI
InChI=1S/C24H16N2/c1-3-19-7-5-9-23(15-19)25-17-21-11-13-22(14-12-21)18-26-24-10-6-8-20(4-2)16-24/h1-2,5-18H
InChIKey
YFUWOTNRLREKTR-UHFFFAOYSA-N
Compound name
N-(3-ethynylphenyl)-1-[4-[(3-ethynylphenyl)iminomethyl]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.13135 Da
Monoisotopic Mass

5.0
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

No literature data available for this compound.

Patent stripe

patents stripe