CID 18110

2977-21-1

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC(CCN1CCCCC1)(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C17H26N2O/c1-2-17(16(18)20,15-9-5-3-6-10-15)11-14-19-12-7-4-8-13-19/h3,5-6,9-10H,2,4,7-8,11-14H2,1H3,(H2,18,20)
InChIKey
SSGLLHWEINBKAA-UHFFFAOYSA-N
Compound name
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.4
[M+Na]+ 297.19372 170.1
[M-H]- 273.19722 171.3
[M+NH4]+ 292.23832 181.8
[M+K]+ 313.16766 166.4
[M+H-H2O]+ 257.20176 159.8
[M+HCOO]- 319.20270 184.3
[M+CH3COO]- 333.21835 201.3
[M+Na-2H]- 295.17917 170.9
[M]+ 274.20395 162.6
[M]- 274.20505 162.6
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

No patent data available for this compound.