CID 198887

Sydnone, 4-phenyl-3-(2-piperidinoethyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H20N3O2
SMILES
C1CCN(CC1)CC[N+]2=C(C(=O)ON2)C3=CC=CC=C3
InChI
InChI=1S/C15H19N3O2/c19-15-14(13-7-3-1-4-8-13)18(16-20-15)12-11-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-12H2/p+1
InChIKey
SUNOHQHARWHKEQ-UHFFFAOYSA-O
Compound name
4-phenyl-3-(2-piperidin-1-ylethyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.15555 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.16283 165.5
[M+Na]+ 297.14477 171.1
[M-H]- 273.14827 170.1
[M+NH4]+ 292.18937 176.3
[M+K]+ 313.11871 161.7
[M+H-H2O]+ 257.15281 157.8
[M+HCOO]- 319.15375 181.0
[M+CH3COO]- 333.16940 186.5
[M+Na-2H]- 295.13022 170.5
[M]+ 274.15500 160.6
[M]- 274.15610 160.6
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.