CID 10042211

Dbo-17

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CCC(=O)N1CC2CCC(C1)N2C/C=C/C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H23N3O3/c1-2-18(22)19-12-16-9-10-17(13-19)20(16)11-3-4-14-5-7-15(8-6-14)21(23)24/h3-8,16-17H,2,9-13H2,1H3/b4-3+
InChIKey
VWJDGZDXFSHUPA-ONEGZZNKSA-N
Compound name
1-[8-[(E)-3-(4-nitrophenyl)prop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 177.4
[M+Na]+ 352.16317 188.0
[M+NH4]+ 347.20777 184.0
[M+K]+ 368.13711 185.7
[M-H]- 328.16667 179.6
[M+Na-2H]- 350.14862 179.2
[M]+ 329.17340 179.0
[M]- 329.17450 179.0
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.