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]+ 310.19138 173.5
[M+Na]+ 332.17332 178.8
[M-H]- 308.17682 178.7
[M+NH4]+ 327.21792 186.0
[M+K]+ 348.14726 173.8
[M+H-H2O]+ 292.18136 163.5
[M+HCOO]- 354.18230 188.4
[M+CH3COO]- 368.19795 182.7
[M+Na-2H]- 330.15877 173.5
[M]+ 309.18355 170.3
[M]- 309.18465 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.