CID 198891

Sydnone, 4-phenyl-3-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H18N3O2
SMILES
C1CCN(C1)CC[N+]2=C(C(=O)ON2)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3O2/c18-14-13(12-6-2-1-3-7-12)17(15-19-14)11-10-16-8-4-5-9-16/h1-3,6-7H,4-5,8-11H2/p+1
InChIKey
PGJZRUNEFVCLND-UHFFFAOYSA-O
Compound name
4-phenyl-3-(2-pyrrolidin-1-ylethyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1399 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14718 160.0
[M+Na]+ 283.12912 166.8
[M-H]- 259.13262 165.5
[M+NH4]+ 278.17372 173.4
[M+K]+ 299.10306 158.1
[M+H-H2O]+ 243.13716 153.4
[M+HCOO]- 305.13810 178.2
[M+CH3COO]- 319.15375 183.4
[M+Na-2H]- 281.11457 163.9
[M]+ 260.13935 157.1
[M]- 260.14045 157.1
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.