CID 32122

N-(alpha-(p-chlorophenyl)benzyl)-n-methyl-n'-propylethylenediamine oxalate

Structural Information

Molecular Formula
C19H25ClN2
SMILES
CCCNCCN(C)C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H25ClN2/c1-3-13-21-14-15-22(2)19(16-7-5-4-6-8-16)17-9-11-18(20)12-10-17/h4-12,19,21H,3,13-15H2,1-2H3
InChIKey
NTLDHBKRNWDVKM-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N'-methyl-N-propylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17062 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17790 179.0
[M+Na]+ 339.15984 192.4
[M+NH4]+ 334.20444 188.1
[M+K]+ 355.13378 182.7
[M-H]- 315.16334 185.6
[M+Na-2H]- 337.14529 188.3
[M]+ 316.17007 183.2
[M]- 316.17117 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.