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]+ 271.180496 167.2
[M+Na]+ 293.162438 172.2
[M-H]- 269.165944 169.3
[M+NH4]+ 288.207043 183.9
[M+K]+ 309.136378 167.3
[M+H-H2O]+ 253.170480 158.5
[M+HCOO]- 315.171421 182.0
[M+CH3COO]- 329.187071 198.6
[M+Na-2H]- 291.147886 168.0
[M]+ 270.17267142 164.0
[M]- 270.17376858 164.0
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.