CID 71735

Butopiprine

Structural Information

Molecular Formula
C19H29NO3
SMILES
CCCCOCCOC(=O)C(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C19H29NO3/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3
InChIKey
MNBLDUWBHRTWEP-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-phenyl-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

319.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.22203 180.4
[M+Na]+ 342.20397 181.1
[M-H]- 318.20747 183.1
[M+NH4]+ 337.24857 192.2
[M+K]+ 358.17791 178.6
[M+H-H2O]+ 302.21201 170.6
[M+HCOO]- 364.21295 196.1
[M+CH3COO]- 378.22860 206.8
[M+Na-2H]- 340.18942 180.3
[M]+ 319.21420 179.5
[M]- 319.21530 179.5
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.