CID 156346345

Ethyl 4-anpp

Structural Information

Molecular Formula
C21H28N2
SMILES
CCN(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-2-23(20-11-7-4-8-12-20)21-14-17-22(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKey
XVQAKXNCXQMKEJ-UHFFFAOYSA-N
Compound name
N-ethyl-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

308.22525 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 177.0
[M+Na]+ 331.21447 178.8
[M-H]- 307.21797 184.5
[M+NH4]+ 326.25907 189.5
[M+K]+ 347.18841 174.1
[M+H-H2O]+ 291.22251 165.9
[M+HCOO]- 353.22345 196.0
[M+CH3COO]- 367.23910 185.9
[M+Na-2H]- 329.19992 179.6
[M]+ 308.22470 172.7
[M]- 308.22580 172.7
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