CID 32148

N-(alpha-(p-chlorophenyl)benzyl)-n',n'-dibenzylethylenediamine oxalate

Structural Information

Molecular Formula
C29H29ClN2
SMILES
C1=CC=C(C=C1)CN(CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C29H29ClN2/c30-28-18-16-27(17-19-28)29(26-14-8-3-9-15-26)31-20-21-32(22-24-10-4-1-5-11-24)23-25-12-6-2-7-13-25/h1-19,29,31H,20-23H2
InChIKey
NXEZXBUCSFXMFF-UHFFFAOYSA-N
Compound name
N',N'-dibenzyl-N-[(4-chlorophenyl)-phenylmethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.20193 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.209206 210.2
[M+Na]+ 463.191148 212.4
[M-H]- 439.194654 221.5
[M+NH4]+ 458.235753 218.5
[M+K]+ 479.165088 204.1
[M+H-H2O]+ 423.199190 198.1
[M+HCOO]- 485.200131 228.4
[M+CH3COO]- 499.215781 217.5
[M+Na-2H]- 461.176596 212.6
[M]+ 440.20138142 211.0
[M]- 440.20247858 211.0
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.