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 170.3
[M+Na]+ 297.23012 172.3
[M-H]- 273.23362 176.8
[M+NH4]+ 292.27472 188.0
[M+K]+ 313.20406 169.3
[M+H-H2O]+ 257.23816 161.8
[M+HCOO]- 319.23910 193.7
[M+CH3COO]- 333.25475 209.0
[M+Na-2H]- 295.21557 171.0
[M]+ 274.24035 168.9
[M]- 274.24145 168.9
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

patents stripe