CID 6438286

3-(3-(alpha-naphthyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride

Structural Information

Molecular Formula
C22H26N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H26N2O/c1-2-22(25)24-19-12-13-20(24)16-23(15-19)14-6-10-18-9-5-8-17-7-3-4-11-21(17)18/h3-11,19-20H,2,12-16H2,1H3/b10-6+
InChIKey
GJFVNSRHUHISNV-UXBLZVDNSA-N
Compound name
1-[3-[(E)-3-naphthalen-1-ylprop-2-enyl]-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

334.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 184.5
[M+Na]+ 357.19372 197.0
[M+NH4]+ 352.23832 193.1
[M+K]+ 373.16766 189.5
[M-H]- 333.19722 187.4
[M+Na-2H]- 355.17917 187.7
[M]+ 334.20395 187.0
[M]- 334.20505 187.0
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.