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 178.5
[M+Na]+ 339.15984 182.8
[M-H]- 315.16334 185.2
[M+NH4]+ 334.20444 193.5
[M+K]+ 355.13378 177.5
[M+H-H2O]+ 299.16788 170.1
[M+HCOO]- 361.16882 198.1
[M+CH3COO]- 375.18447 215.8
[M+Na-2H]- 337.14529 181.2
[M]+ 316.17007 181.2
[M]- 316.17117 181.2
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.