CID 24149

Carperidine

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCOC(=O)C1(CCN(CC1)CCC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H24N2O3/c1-2-22-16(21)17(14-6-4-3-5-7-14)9-12-19(13-10-17)11-8-15(18)20/h3-7H,2,8-13H2,1H3,(H2,18,20)
InChIKey
IXZCNCWEDOHVLK-UHFFFAOYSA-N
Compound name
ethyl 1-(3-amino-3-oxopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

304.17868 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 173.8
[M+Na]+ 327.167898 176.9
[M-H]- 303.171404 177.2
[M+NH4]+ 322.212503 188.0
[M+K]+ 343.141838 174.3
[M+H-H2O]+ 287.175940 165.4
[M+HCOO]- 349.176881 190.9
[M+CH3COO]- 363.192531 205.3
[M+Na-2H]- 325.153346 174.9
[M]+ 304.17813142 170.7
[M]- 304.17922858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe