CID 213609

Sydnone, 4-(morpholinomethyl)-3-phenyl-

Structural Information

Molecular Formula
C13H16N3O3
SMILES
C1COCCN1CC2=[N+](NOC2=O)C3=CC=CC=C3
InChI
InChI=1S/C13H15N3O3/c17-13-12(10-15-6-8-18-9-7-15)16(14-19-13)11-4-2-1-3-5-11/h1-5H,6-10H2/p+1
InChIKey
PUYRLBBIKHOUHZ-UHFFFAOYSA-O
Compound name
4-(morpholin-4-ylmethyl)-3-phenyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11917 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12645 159.6
[M+Na]+ 285.10839 166.1
[M-H]- 261.11189 165.2
[M+NH4]+ 280.15299 169.5
[M+K]+ 301.08233 158.6
[M+H-H2O]+ 245.11643 152.4
[M+HCOO]- 307.11737 175.1
[M+CH3COO]- 321.13302 183.0
[M+Na-2H]- 283.09384 166.2
[M]+ 262.11862 156.0
[M]- 262.11972 156.0
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.