CID 16077129

2(1h)-pyrimidinone, 4-amino-1-[(1r,2r,3s,4s,5s,6s)-2,3,4,6-tetrahydroxy-5-methoxycyclohexyl]-

Structural Information

Molecular Formula
C11H17N3O6
SMILES
CO[C@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)N2C=CC(=NC2=O)N)O
InChI
InChI=1S/C11H17N3O6/c1-20-10-7(16)5(6(15)8(17)9(10)18)14-3-2-4(12)13-11(14)19/h2-3,5-10,15-18H,1H3,(H2,12,13,19)/t5-,6-,7+,8+,9+,10+/m1/s1
InChIKey
MMGMTCKJKGPXMO-GWRHWDGRSA-N
Compound name
4-amino-1-[(1R,2R,3S,4S,5S,6S)-2,3,4,6-tetrahydroxy-5-methoxycyclohexyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11172 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11900 164.2
[M+Na]+ 310.10094 172.3
[M-H]- 286.10444 163.6
[M+NH4]+ 305.14554 174.5
[M+K]+ 326.07488 169.0
[M+H-H2O]+ 270.10898 156.7
[M+HCOO]- 332.10992 178.0
[M+CH3COO]- 346.12557 196.7
[M+Na-2H]- 308.08639 163.6
[M]+ 287.11117 160.8
[M]- 287.11227 160.8
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.