CID 71735

Butopiprine hydrobromide

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
1
Annotation Hits

0
References

51
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

literature stripe

Patent stripe

patents stripe