CID 4439899

(1-(2-(3,4-dimethoxy-phenyl)-ethyl)-5-ethyl-2-oxo-piperidin-4-yl)-acetic acid

Structural Information

Molecular Formula
C19H27NO5
SMILES
CCC1CN(C(=O)CC1CC(=O)O)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H27NO5/c1-4-14-12-20(18(21)10-15(14)11-19(22)23)8-7-13-5-6-16(24-2)17(9-13)25-3/h5-6,9,14-15H,4,7-8,10-12H2,1-3H3,(H,22,23)
InChIKey
AJGVAXFKPKXRHA-UHFFFAOYSA-N
Compound name
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-oxopiperidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

349.18893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.19621 183.0
[M+Na]+ 372.17815 188.2
[M-H]- 348.18165 186.3
[M+NH4]+ 367.22275 194.2
[M+K]+ 388.15209 185.3
[M+H-H2O]+ 332.18619 174.4
[M+HCOO]- 394.18713 198.8
[M+CH3COO]- 408.20278 214.0
[M+Na-2H]- 370.16360 180.6
[M]+ 349.18838 185.4
[M]- 349.18948 185.4
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