CID 90765

Brn 0815317

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCC(=O)N1C2CCC1C(=O)N(C2)CC=CC3=CC=CC=C3
InChI
InChI=1S/C18H22N2O2/c1-2-17(21)20-15-10-11-16(20)18(22)19(13-15)12-6-9-14-7-4-3-5-8-14/h3-9,15-16H,2,10-13H2,1H3
InChIKey
QHHNVIFYIZJACJ-UHFFFAOYSA-N
Compound name
3-(3-phenylprop-2-enyl)-8-propanoyl-3,8-diazabicyclo[3.2.1]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 173.5
[M+Na]+ 321.157338 179.2
[M-H]- 297.160844 175.9
[M+NH4]+ 316.201943 189.3
[M+K]+ 337.131278 174.0
[M+H-H2O]+ 281.165380 165.0
[M+HCOO]- 343.166321 188.4
[M+CH3COO]- 357.181971 204.0
[M+Na-2H]- 319.142786 173.3
[M]+ 298.16757142 171.8
[M]- 298.16866858 171.8
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.