CID 9570381

2-(morpholinoimino)-4'-nitroacetophenone

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]+ 264.09788 156.8
[M+Na]+ 286.07982 160.3
[M-H]- 262.08332 163.2
[M+NH4]+ 281.12442 169.3
[M+K]+ 302.05376 155.7
[M+H-H2O]+ 246.08786 152.2
[M+HCOO]- 308.08880 178.7
[M+CH3COO]- 322.10445 192.3
[M+Na-2H]- 284.06527 164.2
[M]+ 263.09005 152.9
[M]- 263.09115 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.