CID 14150

Isoxazole, 5-(2-pyrrolidinoethyl)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CCN(C1)CCC2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2O/c1-2-6-13(7-3-1)15-12-14(18-16-15)8-11-17-9-4-5-10-17/h1-3,6-7,12H,4-5,8-11H2
InChIKey
IVDLMJVLIPZPJC-UHFFFAOYSA-N
Compound name
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.4
[M+Na]+ 265.13112 169.1
[M+NH4]+ 260.17572 165.1
[M+K]+ 281.10506 165.4
[M-H]- 241.13462 162.2
[M+Na-2H]- 263.11657 164.4
[M]+ 242.14135 159.8
[M]- 242.14245 159.8
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

patents stripe