CID 3009326

1-((2r,4s,5s)-4-hydroxymethyl-5-trityloxymethyl-tetrahydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C30H30N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CO
InChI
InChI=1S/C30H30N2O5/c1-21-18-32(29(35)31-28(21)34)27-17-22(19-33)26(37-27)20-36-30(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,18,22,26-27,33H,17,19-20H2,1H3,(H,31,34,35)/t22-,26+,27+/m0/s1
InChIKey
BHUCGCGUUALWLN-ZDJNHPEVSA-N
Compound name
1-[(2R,4S,5S)-4-(hydroxymethyl)-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

498.21548 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22276 220.6
[M+Na]+ 521.20470 225.0
[M-H]- 497.20820 231.5
[M+NH4]+ 516.24930 222.2
[M+K]+ 537.17864 219.2
[M+H-H2O]+ 481.21274 208.1
[M+HCOO]- 543.21368 233.6
[M+CH3COO]- 557.22933 226.8
[M+Na-2H]- 519.19015 219.6
[M]+ 498.21493 219.6
[M]- 498.21603 219.6
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.