CID 6323394

5-nitroso-6-ribityl-amino-2,4(1h,3h)-pyrimidinedione

Structural Information

Molecular Formula
C9H14N4O7
SMILES
C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O
InChI
InChI=1S/C9H14N4O7/c14-2-4(16)6(17)3(15)1-10-7-5(13-20)8(18)12-9(19)11-7/h3-4,6,14-17H,1-2H2,(H3,10,11,12,18,19)/t3-,4+,6-/m0/s1
InChIKey
YMWIHKCBRFEJMH-RPDRRWSUSA-N
Compound name
5-nitroso-6-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino]-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

75
Patents

290.08624 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09352 158.1
[M+Na]+ 313.07546 163.2
[M-H]- 289.07896 153.1
[M+NH4]+ 308.12006 166.5
[M+K]+ 329.04940 161.2
[M+H-H2O]+ 273.08350 150.4
[M+HCOO]- 335.08444 173.5
[M+CH3COO]- 349.10009 196.0
[M+Na-2H]- 311.06091 159.3
[M]+ 290.08569 155.3
[M]- 290.08679 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe