CID 5277388

Schembl13327525

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CCOC(=O)NC1=NC(=C(C(=C1)N)[N+](=O)[O-])NCC(=O)C
InChI
InChI=1S/C11H15N5O5/c1-3-21-11(18)15-8-4-7(12)9(16(19)20)10(14-8)13-5-6(2)17/h4H,3,5H2,1-2H3,(H4,12,13,14,15,18)
InChIKey
HIDYMRKHXIQOIB-UHFFFAOYSA-N
Compound name
ethyl N-[4-amino-5-nitro-6-(2-oxopropylamino)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.10733 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 161.5
[M+Na]+ 320.09655 166.4
[M-H]- 296.10005 163.8
[M+NH4]+ 315.14115 173.4
[M+K]+ 336.07049 161.4
[M+H-H2O]+ 280.10459 157.7
[M+HCOO]- 342.10553 186.6
[M+CH3COO]- 356.12118 203.8
[M+Na-2H]- 318.08200 166.4
[M]+ 297.10678 160.3
[M]- 297.10788 160.3
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