CID 198901

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

Structural Information

Molecular Formula
C14H18N3O3
SMILES
C1COCCN1CC[N+]2=C(C(=O)ON2)C3=CC=CC=C3
InChI
InChI=1S/C14H17N3O3/c18-14-13(12-4-2-1-3-5-12)17(15-20-14)7-6-16-8-10-19-11-9-16/h1-5H,6-11H2/p+1
InChIKey
QUYFOOBUNYTHOR-UHFFFAOYSA-O
Compound name
3-(2-morpholin-4-ylethyl)-4-phenyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.13483 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14211 164.2
[M+Na]+ 299.12405 170.3
[M-H]- 275.12755 169.6
[M+NH4]+ 294.16865 173.5
[M+K]+ 315.09799 162.5
[M+H-H2O]+ 259.13209 156.8
[M+HCOO]- 321.13303 179.3
[M+CH3COO]- 335.14868 186.0
[M+Na-2H]- 297.10950 170.3
[M]+ 276.13428 160.9
[M]- 276.13538 160.9
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.