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 202.0
[M+Na]+ 399.22677 206.8
[M-H]- 375.23027 206.2
[M+NH4]+ 394.27137 208.7
[M+K]+ 415.20071 203.1
[M+H-H2O]+ 359.23481 183.6
[M+HCOO]- 421.23575 214.1
[M+CH3COO]- 435.25140 251.0
[M+Na-2H]- 397.21222 198.9
[M]+ 376.23700 193.3
[M]- 376.23810 193.3
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.