CID 129318359

N,n,n',n'-tetramethyl-3-phenyl-3-(pyridin-2-yl)pentane-1,5-diamine dihydrochloride

Structural Information

Molecular Formula
C20H29N3
SMILES
CN(C)CCC(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C20H29N3/c1-22(2)16-13-20(14-17-23(3)4,18-10-6-5-7-11-18)19-12-8-9-15-21-19/h5-12,15H,13-14,16-17H2,1-4H3
InChIKey
FHKAHJBPTACYNA-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethyl-3-phenyl-3-pyridin-2-ylpentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.23615 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.24343 179.3
[M+Na]+ 334.22537 182.2
[M-H]- 310.22887 186.0
[M+NH4]+ 329.26997 192.8
[M+K]+ 350.19931 179.8
[M+H-H2O]+ 294.23341 169.1
[M+HCOO]- 356.23435 201.7
[M+CH3COO]- 370.25000 219.6
[M+Na-2H]- 332.21082 184.3
[M]+ 311.23560 181.5
[M]- 311.23670 181.5
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.