CID 1229952

1-piperidineethanamine, n-(4-cyclopentylphenyl)-n-ethyl-, dihydrochloride

Structural Information

Molecular Formula
C20H32N2
SMILES
CCN(CCN1CCCCC1)C2=CC=C(C=C2)C3CCCC3
InChI
InChI=1S/C20H32N2/c1-2-22(17-16-21-14-6-3-7-15-21)20-12-10-19(11-13-20)18-8-4-5-9-18/h10-13,18H,2-9,14-17H2,1H3
InChIKey
ZSOGCLKEVAHNIN-UHFFFAOYSA-N
Compound name
4-cyclopentyl-N-ethyl-N-(2-piperidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.25656 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26384 176.9
[M+Na]+ 323.24578 177.0
[M-H]- 299.24928 184.0
[M+NH4]+ 318.29038 191.6
[M+K]+ 339.21972 173.3
[M+H-H2O]+ 283.25382 166.5
[M+HCOO]- 345.25476 194.3
[M+CH3COO]- 359.27041 209.4
[M+Na-2H]- 321.23123 175.2
[M]+ 300.25601 170.3
[M]- 300.25711 170.3
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