CID 339347

Mls003171217

Structural Information

Molecular Formula
C8H10N4O5
SMILES
CCOC(=O)NC1=CC(=O)C(=C(N1)N)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O5/c1-2-17-8(14)11-5-3-4(13)6(12(15)16)7(9)10-5/h3H,2H2,1H3,(H4,9,10,11,13,14)
InChIKey
OOQZAYBEVLRMEG-UHFFFAOYSA-N
Compound name
ethyl N-(6-amino-5-nitro-4-oxo-1H-pyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.06512 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07240 145.5
[M+Na]+ 265.05434 152.5
[M-H]- 241.05784 146.9
[M+NH4]+ 260.09894 159.4
[M+K]+ 281.02828 146.5
[M+H-H2O]+ 225.06238 142.8
[M+HCOO]- 287.06332 170.0
[M+CH3COO]- 301.07897 186.2
[M+Na-2H]- 263.03979 151.9
[M]+ 242.06457 142.9
[M]- 242.06567 142.9
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

patents stripe