CID 4554822

Ethyl {n-[(4-nitrophenyl)amino]carbamoyl}formate

Structural Information

Molecular Formula
C10H11N3O5
SMILES
CCOC(=O)C(=O)NNC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O5/c1-2-18-10(15)9(14)12-11-7-3-5-8(6-4-7)13(16)17/h3-6,11H,2H2,1H3,(H,12,14)
InChIKey
HUTRCHJJQRMLAZ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-nitrophenyl)hydrazinyl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

253.06987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07715 150.9
[M+Na]+ 276.05909 155.6
[M-H]- 252.06259 154.5
[M+NH4]+ 271.10369 166.1
[M+K]+ 292.03303 151.1
[M+H-H2O]+ 236.06713 148.2
[M+HCOO]- 298.06807 177.3
[M+CH3COO]- 312.08372 190.2
[M+Na-2H]- 274.04454 157.5
[M]+ 253.06932 150.0
[M]- 253.07042 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe