CID 9570381

24342-46-9

Structural Information

Molecular Formula
C12H13N3O4
SMILES
C1COCCN1/N=C/C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O4/c16-12(9-13-14-5-7-19-8-6-14)10-1-3-11(4-2-10)15(17)18/h1-4,9H,5-8H2/b13-9+
InChIKey
MFYJYJNQWAXDNP-UKTHLTGXSA-N
Compound name
(2E)-2-morpholin-4-ylimino-1-(4-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0906 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.097876 156.8
[M+Na]+ 286.079818 160.3
[M-H]- 262.083324 163.2
[M+NH4]+ 281.124423 169.3
[M+K]+ 302.053758 155.7
[M+H-H2O]+ 246.087860 152.2
[M+HCOO]- 308.088801 178.7
[M+CH3COO]- 322.104451 192.3
[M+Na-2H]- 284.065266 164.2
[M]+ 263.09005142 152.9
[M]- 263.09114858 152.9
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.