CID 59906

Ammonium, n-benzyl-n'-(o-chlorobenzyl)-n,n'-(oxalylbis(iminoethylene))bis(n,n-diethyl-, dichloride

Structural Information

Molecular Formula
C28H43ClN4O2
SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2
InChI
InChI=1S/C28H41ClN4O2/c1-5-32(6-2,22-24-14-10-9-11-15-24)20-18-30-27(34)28(35)31-19-21-33(7-3,8-4)23-25-16-12-13-17-26(25)29/h9-17H,5-8,18-23H2,1-4H3/p+2
InChIKey
ZXGXIUAQBFZDKS-UHFFFAOYSA-P
Compound name
benzyl-[2-[[2-[2-[(2-chlorophenyl)methyl-diethylazaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.30746 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.31474 226.7
[M+Na]+ 525.29668 238.8
[M+NH4]+ 520.34128 234.0
[M+K]+ 541.27062 231.5
[M-H]- 501.30018 234.6
[M+Na-2H]- 523.28213 234.5
[M]+ 502.30691 231.6
[M]- 502.30801 231.6
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.