CID 6481867

6-amino-2-methoxy-3-methyl-5-((2r,3r,4r)-2,3,4,5-tetrahydroxy-pentylideneamino)-3h-pyrimidin-4-one

Structural Information

Molecular Formula
C11H18N4O6
SMILES
CN1C(=O)C(=C(N=C1OC)N)N=C[C@H]([C@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C11H18N4O6/c1-15-10(20)7(9(12)14-11(15)21-2)13-3-5(17)8(19)6(18)4-16/h3,5-6,8,16-19H,4,12H2,1-2H3/t5-,6-,8-/m1/s1
InChIKey
WOOQYKYUTHGFJS-ATRFCDNQSA-N
Compound name
6-amino-2-methoxy-3-methyl-5-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentylidene]amino]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12262 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12990 166.3
[M+Na]+ 325.11184 172.4
[M-H]- 301.11534 163.6
[M+NH4]+ 320.15644 175.9
[M+K]+ 341.08578 171.1
[M+H-H2O]+ 285.11988 158.4
[M+HCOO]- 347.12082 183.0
[M+CH3COO]- 361.13647 204.4
[M+Na-2H]- 323.09729 165.5
[M]+ 302.12207 166.5
[M]- 302.12317 166.5
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.