CID 59323

1-acetonyl-4-phenylisonipecotic acid ethyl ester

Structural Information

Molecular Formula
C17H23NO3
SMILES
CCOC(=O)C1(CCN(CC1)CC(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C17H23NO3/c1-3-21-16(20)17(15-7-5-4-6-8-15)9-11-18(12-10-17)13-14(2)19/h4-8H,3,9-13H2,1-2H3
InChIKey
MSRCHHJMIZQCQD-UHFFFAOYSA-N
Compound name
ethyl 1-(2-oxopropyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17508 169.5
[M+Na]+ 312.15702 173.5
[M-H]- 288.16052 173.6
[M+NH4]+ 307.20162 185.0
[M+K]+ 328.13096 171.2
[M+H-H2O]+ 272.16506 161.3
[M+HCOO]- 334.16600 186.2
[M+CH3COO]- 348.18165 200.8
[M+Na-2H]- 310.14247 171.1
[M]+ 289.16725 168.1
[M]- 289.16835 168.1
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.