CID 433464

Schembl13327974

Structural Information

Molecular Formula
C8H12N4O2
SMILES
CCOC(=O)NC1=NC(=C(C=C1)N)N
InChI
InChI=1S/C8H12N4O2/c1-2-14-8(13)12-6-4-3-5(9)7(10)11-6/h3-4H,2,9H2,1H3,(H3,10,11,12,13)
InChIKey
RSIXPOZFXSUXNL-UHFFFAOYSA-N
Compound name
ethyl N-(5,6-diamino-2-pyridinyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

196.09602 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.103296 141.7
[M+Na]+ 219.085238 148.9
[M-H]- 195.088744 143.7
[M+NH4]+ 214.129843 158.6
[M+K]+ 235.059178 147.3
[M+H-H2O]+ 179.093280 134.2
[M+HCOO]- 241.094221 166.8
[M+CH3COO]- 255.109871 190.0
[M+Na-2H]- 217.070686 146.6
[M]+ 196.09547142 139.6
[M]- 196.09656858 139.6
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