CID 51180

3-benzoyl-7-butylbispidine hydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCCN1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H26N2O/c1-2-3-9-19-11-15-10-16(12-19)14-20(13-15)18(21)17-7-5-4-6-8-17/h4-8,15-16H,2-3,9-14H2,1H3
InChIKey
UCSNHPHYNQTEAF-UHFFFAOYSA-N
Compound name
(7-butyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 171.9
[M+Na]+ 309.19372 183.9
[M+NH4]+ 304.23832 180.4
[M+K]+ 325.16766 175.6
[M-H]- 285.19722 174.7
[M+Na-2H]- 307.17917 176.1
[M]+ 286.20395 174.3
[M]- 286.20505 174.3
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.