CID 453042

Ddf-trityl-pentofuranosyl-me-c

Structural Information

Molecular Formula
C29H28FN3O3
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F
InChI
InChI=1S/C29H28FN3O3/c1-20-18-33(28(34)32-26(20)31)27-25(30)17-24(36-27)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18,24-25,27H,17,19H2,1H3,(H2,31,32,34)/t24-,25+,27+/m0/s1
InChIKey
HOYMCLBCVGEXOY-ZWEKWIFMSA-N
Compound name
4-amino-1-[(2R,3R,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.21146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.21874 219.2
[M+Na]+ 508.20068 224.6
[M-H]- 484.20418 230.9
[M+NH4]+ 503.24528 222.4
[M+K]+ 524.17462 218.3
[M+H-H2O]+ 468.20872 205.3
[M+HCOO]- 530.20966 234.4
[M+CH3COO]- 544.22531 226.0
[M+Na-2H]- 506.18613 218.2
[M]+ 485.21091 216.9
[M]- 485.21201 216.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.