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
1
Annotation Hits

0
References

106
Patents

304.17868 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18596 173.8
[M+Na]+ 327.16790 176.9
[M-H]- 303.17140 177.2
[M+NH4]+ 322.21250 188.0
[M+K]+ 343.14184 174.3
[M+H-H2O]+ 287.17594 165.4
[M+HCOO]- 349.17688 190.9
[M+CH3COO]- 363.19253 205.3
[M+Na-2H]- 325.15335 174.9
[M]+ 304.17813 170.7
[M]- 304.17923 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.