CID 145999204

5-ethynyl-3-[5-(hydroxymethyl)-4-[(imino-$l^{5}-azanylidene)amino]tetrahydrofuran-2-yl]-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C12H13N4O4
SMILES
C#CC1=CC(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=N
InChI
InChI=1S/C12H12N4O4/c1-2-6-3-7(12(19)14-11(6)18)9-4-8(15-16-13)10(5-17)20-9/h1,3,7-10,13,17H,4-5H2/p+1
InChIKey
ZVYUTWQOMXVLFH-UHFFFAOYSA-O
Compound name
[5-(5-ethynyl-2,6-dioxo-3H-pyridin-3-yl)-2-(hydroxymethyl)oxolan-3-yl]imino-iminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0937 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10098 162.8
[M+Na]+ 300.08292 170.9
[M-H]- 276.08642 166.5
[M+NH4]+ 295.12752 174.7
[M+K]+ 316.05686 162.1
[M+H-H2O]+ 260.09096 151.3
[M+HCOO]- 322.09190 178.6
[M+CH3COO]- 336.10755 203.4
[M+Na-2H]- 298.06837 165.7
[M]+ 277.09315 152.6
[M]- 277.09425 152.6
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

No patent data available for this compound.