CID 32126

N-(alpha-(p-chlorophenyl)benzyl)-n'-propylethylenediamine dioxalate

Structural Information

Molecular Formula
C18H23ClN2
SMILES
CCCNCCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H23ClN2/c1-2-12-20-13-14-21-18(15-6-4-3-5-7-15)16-8-10-17(19)11-9-16/h3-11,18,20-21H,2,12-14H2,1H3
InChIKey
VRBZNUYOIJEVKS-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N-propylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.15497 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.16225 173.1
[M+Na]+ 325.14419 177.8
[M-H]- 301.14769 178.6
[M+NH4]+ 320.18879 188.1
[M+K]+ 341.11813 171.3
[M+H-H2O]+ 285.15223 165.3
[M+HCOO]- 347.15317 192.6
[M+CH3COO]- 361.16882 209.5
[M+Na-2H]- 323.12964 177.3
[M]+ 302.15442 174.3
[M]- 302.15552 174.3
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.