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]+ 299.17540 173.5
[M+Na]+ 321.15734 179.2
[M-H]- 297.16084 175.9
[M+NH4]+ 316.20194 189.3
[M+K]+ 337.13128 174.0
[M+H-H2O]+ 281.16538 165.0
[M+HCOO]- 343.16632 188.4
[M+CH3COO]- 357.18197 204.0
[M+Na-2H]- 319.14279 173.3
[M]+ 298.16757 171.8
[M]- 298.16867 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.