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]+ 373.26384 196.5
[M+Na]+ 395.24578 198.4
[M-H]- 371.24928 206.8
[M+NH4]+ 390.29038 208.1
[M+K]+ 411.21972 193.6
[M+H-H2O]+ 355.25382 184.8
[M+HCOO]- 417.25476 220.8
[M+CH3COO]- 431.27041 231.1
[M+Na-2H]- 393.23123 198.9
[M]+ 372.25601 198.2
[M]- 372.25711 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.