CID 59419

Delta(sup 4)-1,2,4-oxadiazoline, 3-(1-naphthyl)-5-(3-(1-pyrrolidinyl)propyl)-, hydrochloride

Structural Information

Molecular Formula
C19H23N3O
SMILES
C1CCN(C1)CCCC2=NC(NO2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H23N3O/c1-2-9-16-15(7-1)8-5-10-17(16)19-20-18(23-21-19)11-6-14-22-12-3-4-13-22/h1-2,5,7-10,19,21H,3-4,6,11-14H2
InChIKey
UBHGWAXPEDMDNS-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yl-5-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 173.5
[M+Na]+ 332.173318 178.8
[M-H]- 308.176824 178.7
[M+NH4]+ 327.217923 186.0
[M+K]+ 348.147258 173.8
[M+H-H2O]+ 292.181360 163.5
[M+HCOO]- 354.182301 188.4
[M+CH3COO]- 368.197951 182.7
[M+Na-2H]- 330.158766 173.5
[M]+ 309.18355142 170.3
[M]- 309.18464858 170.3
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.