CID 6438286

3,8-diazabicyclo(3.2.1)octane, 3-(3-(alpha-naphthyl)allyl)-8-propionyl-, 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]+ 335.211776 184.7
[M+Na]+ 357.193718 189.5
[M-H]- 333.197224 187.4
[M+NH4]+ 352.238323 199.6
[M+K]+ 373.167658 182.6
[M+H-H2O]+ 317.201760 174.9
[M+HCOO]- 379.202701 197.3
[M+CH3COO]- 393.218351 192.9
[M+Na-2H]- 355.179166 184.7
[M]+ 334.20395142 182.0
[M]- 334.20504858 182.0
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.