CID 5275957

Chembl46633

Structural Information

Molecular Formula
C28H30FN3O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CNC(=O)C3C4=CC=CC=C4C(C5=CC=CC=C35)(C)C)O)F
InChI
InChI=1S/C28H30FN3O5/c1-4-15-14-32(27(36)31-24(15)34)26-22(29)23(33)20(37-26)13-30-25(35)21-16-9-5-7-11-18(16)28(2,3)19-12-8-6-10-17(19)21/h5-12,14,20-23,26,33H,4,13H2,1-3H3,(H,30,35)(H,31,34,36)/t20-,22+,23-,26-/m1/s1
InChIKey
WPISVZUBGKFQDE-PCEGQDSGSA-N
Compound name
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-10,10-dimethyl-9H-anthracene-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

507.21695 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.22423 224.6
[M+Na]+ 530.20617 232.6
[M-H]- 506.20967 230.8
[M+NH4]+ 525.25077 231.2
[M+K]+ 546.18011 226.6
[M+H-H2O]+ 490.21421 213.4
[M+HCOO]- 552.21515 234.4
[M+CH3COO]- 566.23080 230.8
[M+Na-2H]- 528.19162 221.5
[M]+ 507.21640 224.5
[M]- 507.21750 224.5
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.