CID 484319

6-amino-2-methoxy-3-methyl-5-[((3s,4r,5s)-3,4,5-trihydroxy-tetrahydro-furan-2-ylmethyl)-amino]-3h-pyrimidin-4-one

Structural Information

Molecular Formula
C11H18N4O6
SMILES
CN1C(=O)C(=C(N=C1OC)N)NCC2[C@H]([C@H]([C@H](O2)O)O)O
InChI
InChI=1S/C11H18N4O6/c1-15-9(18)5(8(12)14-11(15)20-2)13-3-4-6(16)7(17)10(19)21-4/h4,6-7,10,13,16-17,19H,3,12H2,1-2H3/t4?,6-,7-,10+/m1/s1
InChIKey
RRFUUBQUCMZOTH-ALDKLPCZSA-N
Compound name
6-amino-2-methoxy-3-methyl-5-[[(3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methylamino]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12262 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12990 167.1
[M+Na]+ 325.11184 175.4
[M-H]- 301.11534 169.0
[M+NH4]+ 320.15644 177.8
[M+K]+ 341.08578 173.6
[M+H-H2O]+ 285.11988 159.5
[M+HCOO]- 347.12082 184.7
[M+CH3COO]- 361.13647 203.9
[M+Na-2H]- 323.09729 166.9
[M]+ 302.12207 167.4
[M]- 302.12317 167.4
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.