CID 71301156

102207-15-8

Structural Information

Molecular Formula
C18H25N3O
SMILES
C1CCN(CC1)CC2=NC(NO2)C3CCCC4=CC=CC=C34
InChI
InChI=1S/C18H25N3O/c1-4-11-21(12-5-1)13-17-19-18(20-22-17)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,7,9,16,18,20H,1,4-6,8,10-13H2
InChIKey
NNBQUKRDIYXKLN-UHFFFAOYSA-N
Compound name
5-(piperidin-1-ylmethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.207046 172.9
[M+Na]+ 322.188988 175.7
[M-H]- 298.192494 176.6
[M+NH4]+ 317.233593 183.5
[M+K]+ 338.162928 170.8
[M+H-H2O]+ 282.197030 161.7
[M+HCOO]- 344.197971 182.8
[M+CH3COO]- 358.213621 180.4
[M+Na-2H]- 320.174436 173.2
[M]+ 299.19922142 164.0
[M]- 299.20031858 164.0
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.