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

72
Patents

360.2413 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.248576 190.7
[M+Na]+ 383.230518 190.5
[M-H]- 359.234024 193.4
[M+NH4]+ 378.275123 200.6
[M+K]+ 399.204458 187.5
[M+H-H2O]+ 343.238560 181.1
[M+HCOO]- 405.239501 205.5
[M+CH3COO]- 419.255151 216.8
[M+Na-2H]- 381.215966 191.2
[M]+ 360.24075142 188.7
[M]- 360.24184858 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

patents stripe