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]+ 441.20921 210.2
[M+Na]+ 463.19115 212.4
[M-H]- 439.19465 221.5
[M+NH4]+ 458.23575 218.5
[M+K]+ 479.16509 204.1
[M+H-H2O]+ 423.19919 198.1
[M+HCOO]- 485.20013 228.4
[M+CH3COO]- 499.21578 217.5
[M+Na-2H]- 461.17660 212.6
[M]+ 440.20138 211.0
[M]- 440.20248 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.