CID 5270470

6502-02-9

Structural Information

Molecular Formula
C8H11N5O4
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)N)[N+](=O)[O-])N
InChI
InChI=1S/C8H11N5O4/c1-2-17-8(14)12-5-3-4(9)6(13(15)16)7(10)11-5/h3H,2H2,1H3,(H5,9,10,11,12,14)
InChIKey
JMWNRIFKOSQRBL-UHFFFAOYSA-N
Compound name
ethyl N-(4,6-diamino-5-nitropyridin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

241.0811 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08838 146.3
[M+Na]+ 264.07032 152.8
[M-H]- 240.07382 148.6
[M+NH4]+ 259.11492 160.5
[M+K]+ 280.04426 147.5
[M+H-H2O]+ 224.07836 143.1
[M+HCOO]- 286.07930 172.4
[M+CH3COO]- 300.09495 192.0
[M+Na-2H]- 262.05577 152.5
[M]+ 241.08055 143.1
[M]- 241.08165 143.1
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.