CID 57009

Br 90

Structural Information

Molecular Formula
C21H32N2O3
SMILES
CCC(C1=CC=CC=C1)(C(=O)NCCCN2CCCCC2)C(=O)OCC
InChI
InChI=1S/C21H32N2O3/c1-3-21(20(25)26-4-2,18-12-7-5-8-13-18)19(24)22-14-11-17-23-15-9-6-10-16-23/h5,7-8,12-13H,3-4,6,9-11,14-17H2,1-2H3,(H,22,24)
InChIKey
MIDYJGWCFUCIHA-UHFFFAOYSA-N
Compound name
ethyl 2-phenyl-2-(3-piperidin-1-ylpropylcarbamoyl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2413 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24858 190.7
[M+Na]+ 383.23052 190.5
[M-H]- 359.23402 193.4
[M+NH4]+ 378.27512 200.6
[M+K]+ 399.20446 187.5
[M+H-H2O]+ 343.23856 181.1
[M+HCOO]- 405.23950 205.5
[M+CH3COO]- 419.25515 216.8
[M+Na-2H]- 381.21597 191.2
[M]+ 360.24075 188.7
[M]- 360.24185 188.7
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.