CID 115559

Brn 0537504

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)CCCC3=CC=CC=C3
InChI
InChI=1S/C18H26N2O/c1-2-18(21)20-16-10-11-17(20)14-19(13-16)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3
InChIKey
MBEIYAXOZCKVDR-UHFFFAOYSA-N
Compound name
1-[3-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 172.0
[M+Na]+ 309.19372 182.9
[M+NH4]+ 304.23832 180.3
[M+K]+ 325.16766 176.7
[M-H]- 285.19722 174.0
[M+Na-2H]- 307.17917 175.2
[M]+ 286.20395 174.0
[M]- 286.20505 174.0
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.