CID 484332

[(5e)-2,3,4-triacetoxy-5-[[2-methoxy-1-methyl-6-oxo-4-[[(3r,4s,5r)-3,4,5-triacetoxytetrahydropyran-2-yl]amino]-4,5-dihydropyrimidin-5-yl]imino]pentyl] acetate

Structural Information

Molecular Formula
C30H42N4O17
SMILES
CC(=O)OCC(C(C(C=NC1C(N=C(N(C1=O)C)OC)NC2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H42N4O17/c1-13(35)44-11-21(47-15(3)37)24(49-17(5)39)20(46-14(2)36)10-31-23-27(33-30(43-9)34(8)29(23)42)32-28-26(51-19(7)41)25(50-18(6)40)22(12-45-28)48-16(4)38/h10,20-28,32H,11-12H2,1-9H3/t20?,21?,22-,23?,24?,25+,26-,27?,28?/m1/s1
InChIKey
AZDZGIOYJWMMPL-MRHLYGCESA-N
Compound name
[2,3,4-triacetyloxy-5-[[2-methoxy-1-methyl-6-oxo-4-[[(3R,4S,5R)-3,4,5-triacetyloxyoxan-2-yl]amino]-4,5-dihydropyrimidin-5-yl]imino]pentyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

730.2545 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.26178 253.9
[M+Na]+ 753.24372 250.4
[M-H]- 729.24722 253.2
[M+NH4]+ 748.28832 253.3
[M+K]+ 769.21766 238.4
[M+H-H2O]+ 713.25176 237.5
[M+HCOO]- 775.25270 254.7
[M+CH3COO]- 789.26835 292.1
[M+Na-2H]- 751.22917 277.1
[M]+ 730.25395 269.2
[M]- 730.25505 269.2
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.