CID 3084539

31353-87-4

Structural Information

Molecular Formula
C11H9N5O6
SMILES
COC1=CC(=C(C=C1)N=NC2=C(NC(=O)NC2=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H9N5O6/c1-22-5-2-3-6(7(4-5)16(20)21)14-15-8-9(17)12-11(19)13-10(8)18/h2-4H,1H3,(H3,12,13,17,18,19)
InChIKey
WMWVIURRDKYWCQ-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0553 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06258 159.9
[M+Na]+ 330.04452 168.2
[M-H]- 306.04802 164.3
[M+NH4]+ 325.08912 169.8
[M+K]+ 346.01846 160.6
[M+H-H2O]+ 290.05256 154.9
[M+HCOO]- 352.05350 185.1
[M+CH3COO]- 366.06915 198.8
[M+Na-2H]- 328.02997 168.9
[M]+ 307.05475 159.3
[M]- 307.05585 159.3
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

No patent data available for this compound.