CID 4253042

N,n'-bis(alpha-cyano-4-dimethylaminobenzyl)ethylenediamine

Structural Information

Molecular Formula
C22H28N6
SMILES
CN(C)C1=CC=C(C=C1)C(C#N)NCCNC(C#N)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C22H28N6/c1-27(2)19-9-5-17(6-10-19)21(15-23)25-13-14-26-22(16-24)18-7-11-20(12-8-18)28(3)4/h5-12,21-22,25-26H,13-14H2,1-4H3
InChIKey
YHGPKAWZMFDPLO-UHFFFAOYSA-N
Compound name
2-[2-[[cyano-[4-(dimethylamino)phenyl]methyl]amino]ethylamino]-2-[4-(dimethylamino)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.23755 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24483 214.0
[M+Na]+ 399.22677 220.2
[M+NH4]+ 394.27137 213.5
[M+K]+ 415.20071 208.9
[M-H]- 375.23027 206.7
[M+Na-2H]- 397.21222 212.6
[M]+ 376.23700 211.4
[M]- 376.23810 211.4
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.