CID 5481766

Beta-d-5-o-carboranyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-uridine

Structural Information

Molecular Formula
C11H12B10N2O5
SMILES
B12B3B4B(B5B1C6B2B56)B7B3C47C8=CN(C(=O)NC8=O)[C@H]9C[C@@H]([C@H](O9)CO)O
InChI
InChI=1S/C11H12B10N2O5/c24-3-6-5(25)1-7(28-6)23-2-4(8(26)22-10(23)27)11-15-16(11)21-17(11)20(15)18-12-9-13(12)19(21)14(9)18/h2,5-7,9,24-25H,1,3H2,(H,22,26,27)/t5-,6+,7+,9?,11?/m0/s1
InChIKey
SGYNUMNAQANGMR-PKSZYRDLSA-N
Compound name
5-(1,2,3,5,6,7,8,9,11,12-decaboraheptacyclo[7.3.0.02,5.03,7.04,6.08,11.010,12]dodecan-4-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

362.16766 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17494 183.9
[M+Na]+ 385.15688 186.5
[M-H]- 361.16038 187.7
[M+NH4]+ 380.20148 174.9
[M+K]+ 401.13082 189.5
[M+H-H2O]+ 345.16492 170.6
[M+HCOO]- 407.16586 182.6
[M+CH3COO]- 421.18151 185.5
[M+Na-2H]- 383.14233 180.6
[M]+ 362.16711 206.6
[M]- 362.16821 206.6
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.