CID 135493990

Nsc688497

Structural Information

Molecular Formula
C14H15N5O4
SMILES
C1COCCN1C(=O)N/N=C/C2=[N+](ON=C2C3=CC=CC=C3)[O-]
InChI
InChI=1S/C14H15N5O4/c20-14(18-6-8-22-9-7-18)16-15-10-12-13(17-23-19(12)21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,16,20)/b15-10+
InChIKey
MARXGGLFUMEGRL-XNTDXEJSSA-N
Compound name
N-[(E)-(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1124 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11968 171.1
[M+Na]+ 340.10162 175.1
[M-H]- 316.10512 177.8
[M+NH4]+ 335.14622 178.4
[M+K]+ 356.07556 169.2
[M+H-H2O]+ 300.10966 164.6
[M+HCOO]- 362.11060 189.9
[M+CH3COO]- 376.12625 197.7
[M+Na-2H]- 338.08707 178.2
[M]+ 317.11185 167.0
[M]- 317.11295 167.0
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.