CID 332214

4-(n-(4-nitrophenyl)carbamoyl)morpholine

Structural Information

Molecular Formula
C11H13N3O4
SMILES
C1COCCN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O4/c15-11(13-5-7-18-8-6-13)12-9-1-3-10(4-2-9)14(16)17/h1-4H,5-8H2,(H,12,15)
InChIKey
NBIPSUSFQGFVLH-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

251.0906 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 152.9
[M+Na]+ 274.07982 156.2
[M-H]- 250.08332 158.1
[M+NH4]+ 269.12442 165.3
[M+K]+ 290.05376 151.5
[M+H-H2O]+ 234.08786 148.8
[M+HCOO]- 296.08880 173.5
[M+CH3COO]- 310.10445 186.9
[M+Na-2H]- 272.06527 160.5
[M]+ 251.09005 147.5
[M]- 251.09115 147.5
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

patents stripe