CID 9614917

Brn 0689178

Structural Information

Molecular Formula
C10H10N4O5
SMILES
C1CNC(=O)N(C1)/N=C/C(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N4O5/c15-7(8-2-3-9(19-8)14(17)18)6-12-13-5-1-4-11-10(13)16/h2-3,6H,1,4-5H2,(H,11,16)/b12-6+
InChIKey
NQBFDWVRYFRUID-WUXMJOGZSA-N
Compound name
1-[(E)-[2-(5-nitrofuran-2-yl)-2-oxoethylidene]amino]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06512 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07240 154.9
[M+Na]+ 289.05434 159.4
[M-H]- 265.05784 159.4
[M+NH4]+ 284.09894 167.0
[M+K]+ 305.02828 154.4
[M+H-H2O]+ 249.06238 150.8
[M+HCOO]- 311.06332 175.6
[M+CH3COO]- 325.07897 188.7
[M+Na-2H]- 287.03979 160.6
[M]+ 266.06457 150.5
[M]- 266.06567 150.5
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.