CID 1827592

1,3-propanediamine, n'-(4-cyclopentylphenyl)-n,n-diethyl-, dihydrochloride

Structural Information

Molecular Formula
C18H30N2
SMILES
CCN(CC)CCCNC1=CC=C(C=C1)C2CCCC2
InChI
InChI=1S/C18H30N2/c1-3-20(4-2)15-7-14-19-18-12-10-17(11-13-18)16-8-5-6-9-16/h10-13,16,19H,3-9,14-15H2,1-2H3
InChIKey
SAHJDXQXKVRQLF-UHFFFAOYSA-N
Compound name
N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2409 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.24818 171.8
[M+Na]+ 297.23012 181.0
[M+NH4]+ 292.27472 180.6
[M+K]+ 313.20406 174.5
[M-H]- 273.23362 177.3
[M+Na-2H]- 295.21557 178.1
[M]+ 274.24035 174.5
[M]- 274.24145 174.5
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.