CID 102638

1505-97-1

Structural Information

Molecular Formula
C21H28N2O
SMILES
CCC(CCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N
InChI
InChI=1S/C21H28N2O/c1-2-21(20(22)24,13-16-23-14-6-3-7-15-23)19-12-8-10-17-9-4-5-11-18(17)19/h4-5,8-12H,2-3,6-7,13-16H2,1H3,(H2,22,24)
InChIKey
QNZBHXVTDNAOEC-UHFFFAOYSA-N
Compound name
2-ethyl-2-naphthalen-1-yl-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 180.9
[M+Na]+ 347.20937 183.0
[M-H]- 323.21287 184.4
[M+NH4]+ 342.25397 193.2
[M+K]+ 363.18331 177.8
[M+H-H2O]+ 307.21741 171.5
[M+HCOO]- 369.21835 195.1
[M+CH3COO]- 383.23400 212.2
[M+Na-2H]- 345.19482 183.7
[M]+ 324.21960 175.5
[M]- 324.22070 175.5
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

patents stripe