CID 484322

329310-34-1

Structural Information

Molecular Formula
C16H26N4O10
SMILES
CN1C(=O)C(=C(N=C1OC)N[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)NC3[C@@H]([C@H]([C@@H](CO3)O)O)O
InChI
InChI=1S/C16H26N4O10/c1-20-15(27)7(17-13-10(25)8(23)5(21)3-29-13)12(19-16(20)28-2)18-14-11(26)9(24)6(22)4-30-14/h5-6,8-11,13-14,17-18,21-26H,3-4H2,1-2H3/t5-,6-,8+,9+,10-,11-,13?,14+/m1/s1
InChIKey
XFUZIPUVDCONGJ-OHXBBPTGSA-N
Compound name
2-methoxy-3-methyl-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]-5-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1649 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17218 203.9
[M+Na]+ 457.15412 207.7
[M-H]- 433.15762 205.3
[M+NH4]+ 452.19872 203.6
[M+K]+ 473.12806 207.8
[M+H-H2O]+ 417.16216 193.9
[M+HCOO]- 479.16310 210.1
[M+CH3COO]- 493.17875 228.6
[M+Na-2H]- 455.13957 201.1
[M]+ 434.16435 201.0
[M]- 434.16545 201.0
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.