CID 6861614

Ethyl n-[(e)-(3-nitrophenyl)methylideneamino]carbamate

Structural Information

Molecular Formula
C10H11N3O4
SMILES
CCOC(=O)N/N=C/C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O4/c1-2-17-10(14)12-11-7-8-4-3-5-9(6-8)13(15)16/h3-7H,2H2,1H3,(H,12,14)/b11-7+
InChIKey
CQWPMNIIIQFFKB-YRNVUSSQSA-N
Compound name
ethyl N-[(E)-(3-nitrophenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07495 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.082226 148.7
[M+Na]+ 260.064168 154.2
[M-H]- 236.067674 153.7
[M+NH4]+ 255.108773 165.4
[M+K]+ 276.038108 149.5
[M+H-H2O]+ 220.072210 145.9
[M+HCOO]- 282.073151 177.3
[M+CH3COO]- 296.088801 190.0
[M+Na-2H]- 258.049616 156.6
[M]+ 237.07440142 148.9
[M]- 237.07549858 148.9
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.