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]+ 300.207046 174.2
[M+Na]+ 322.188988 177.8
[M-H]- 298.192494 176.0
[M+NH4]+ 317.233593 189.4
[M+K]+ 338.162928 172.7
[M+H-H2O]+ 282.197030 165.0
[M+HCOO]- 344.197971 189.8
[M+CH3COO]- 358.213621 206.5
[M+Na-2H]- 320.174436 175.3
[M]+ 299.19922142 170.7
[M]- 299.20031858 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.