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]+ 325.227426 180.9
[M+Na]+ 347.209368 183.0
[M-H]- 323.212874 184.4
[M+NH4]+ 342.253973 193.2
[M+K]+ 363.183308 177.8
[M+H-H2O]+ 307.217410 171.5
[M+HCOO]- 369.218351 195.1
[M+CH3COO]- 383.234001 212.2
[M+Na-2H]- 345.194816 183.7
[M]+ 324.21960142 175.5
[M]- 324.22069858 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