CID 209681

1,3-propanediamine, n-benzyl-n',n'-dimethyl-n-(o-phenethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C26H32N2
SMILES
CN(C)CCCN(CC1=CC=CC=C1)C2=CC=CC=C2CCC3=CC=CC=C3
InChI
InChI=1S/C26H32N2/c1-27(2)20-11-21-28(22-24-14-7-4-8-15-24)26-17-10-9-16-25(26)19-18-23-12-5-3-6-13-23/h3-10,12-17H,11,18-22H2,1-2H3
InChIKey
JAEXEHKFIYOXLN-UHFFFAOYSA-N
Compound name
N'-benzyl-N,N-dimethyl-N'-[2-(2-phenylethyl)phenyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.25656 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.263836 196.5
[M+Na]+ 395.245778 198.4
[M-H]- 371.249284 206.8
[M+NH4]+ 390.290383 208.1
[M+K]+ 411.219718 193.6
[M+H-H2O]+ 355.253820 184.8
[M+HCOO]- 417.254761 220.8
[M+CH3COO]- 431.270411 231.1
[M+Na-2H]- 393.231226 198.9
[M]+ 372.25601142 198.2
[M]- 372.25710858 198.2
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.