CID 370620

Nsc643913

Structural Information

Molecular Formula
C28H34N2O12
SMILES
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C
InChI
InChI=1S/C28H34N2O12/c1-7-37-27(35)21-14(2)30(28(36)29-22(21)19-11-9-8-10-12-19)26-25(41-18(6)34)24(40-17(5)33)23(39-16(4)32)20(42-26)13-38-15(3)31/h8-12,20,22-26H,7,13H2,1-6H3,(H,29,36)
InChIKey
AKMBOALNCLZYMQ-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,6-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.2112 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.21848 228.4
[M+Na]+ 613.20042 229.6
[M-H]- 589.20392 233.7
[M+NH4]+ 608.24502 225.7
[M+K]+ 629.17436 232.4
[M+H-H2O]+ 573.20846 217.7
[M+HCOO]- 635.20940 235.2
[M+CH3COO]- 649.22505 259.3
[M+Na-2H]- 611.18587 219.6
[M]+ 590.21065 235.4
[M]- 590.21175 235.4
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.