CID 6445640

38074-16-7

Structural Information

Molecular Formula
C18H25N3O
SMILES
CCC(=O)NN1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H25N3O/c1-2-18(22)19-21-16-10-11-17(21)14-20(13-16)12-6-9-15-7-4-3-5-8-15/h3-9,16-17H,2,10-14H2,1H3,(H,19,22)/b9-6+
InChIKey
MDXNMVCZLPPTQC-RMKNXTFCSA-N
Compound name
N-[3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 174.2
[M+Na]+ 322.18899 177.8
[M-H]- 298.19249 176.0
[M+NH4]+ 317.23359 189.4
[M+K]+ 338.16293 172.7
[M+H-H2O]+ 282.19703 165.0
[M+HCOO]- 344.19797 189.8
[M+CH3COO]- 358.21362 206.5
[M+Na-2H]- 320.17444 175.3
[M]+ 299.19922 170.7
[M]- 299.20032 170.7
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.