CID 96874

73940-95-1

Structural Information

Molecular Formula
C22H22N4
SMILES
C1=CC(=CC=C1C=NCCCCCCN=CC2=CC=C(C=C2)C#N)C#N
InChI
InChI=1S/C22H22N4/c23-15-19-5-9-21(10-6-19)17-25-13-3-1-2-4-14-26-18-22-11-7-20(16-24)8-12-22/h5-12,17-18H,1-4,13-14H2
InChIKey
WPRSOPAWUGQYPC-UHFFFAOYSA-N
Compound name
4-[6-[(4-cyanophenyl)methylideneamino]hexyliminomethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.18445 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19173 190.1
[M+Na]+ 365.17367 198.2
[M-H]- 341.17717 194.9
[M+NH4]+ 360.21827 198.8
[M+K]+ 381.14761 190.9
[M+H-H2O]+ 325.18171 172.1
[M+HCOO]- 387.18265 204.3
[M+CH3COO]- 401.19830 240.6
[M+Na-2H]- 363.15912 190.3
[M]+ 342.18390 183.3
[M]- 342.18500 183.3
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

No patent data available for this compound.