CID 6438250

1798-71-6

Structural Information

Molecular Formula
C17H22N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C17H22N2O/c1-2-17(20)19-15-8-9-16(19)13-18(12-15)11-10-14-6-4-3-5-7-14/h3-7,10-11,15-16H,2,8-9,12-13H2,1H3/b11-10+
InChIKey
NWPIAAKKRKMJQR-ZHACJKMWSA-N
Compound name
1-[3-[(E)-2-phenylethenyl]-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

270.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 167.0
[M+Na]+ 293.16244 178.1
[M+NH4]+ 288.20704 175.1
[M+K]+ 309.13638 172.1
[M-H]- 269.16594 168.8
[M+Na-2H]- 291.14789 170.3
[M]+ 270.17267 168.8
[M]- 270.17377 168.8
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.