CID 6481869

2-methoxy-3-methyl-6-(.alpha.-d-pyranosylamino)-5-xylosylaminopyrimidine-4(3h)-one

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)N=C[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C16H26N4O10/c1-20-15(28)9(17-3-6(22)10(25)7(23)4-21)13(19-16(20)29-2)18-14-12(27)11(26)8(24)5-30-14/h3,6-8,10-12,14,18,21-27H,4-5H2,1-2H3/t6-,7-,8-,10+,11+,12-,14+/m1/s1
InChIKey
FFOMARXLLYYMHN-HUHJVMHWSA-N
Compound name
2-methoxy-3-methyl-5-[[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]-6-[[(2S,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

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17218 196.9
[M+Na]+ 457.15412 199.1
[M-H]- 433.15762 194.2
[M+NH4]+ 452.19872 197.6
[M+K]+ 473.12806 199.7
[M+H-H2O]+ 417.16216 187.8
[M+HCOO]- 479.16310 204.7
[M+CH3COO]- 493.17875 227.1
[M+Na-2H]- 455.13957 193.0
[M]+ 434.16435 195.7
[M]- 434.16545 195.7
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.