CID 41564

Brn 0770122

Structural Information

Molecular Formula
C23H39N3O6
SMILES
CCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C23H39N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(28)24-18-14-15-26(23(31)25-18)22-21(30)20(29)17(16-27)32-22/h14-15,17,20-22,27,29-30H,2-13,16H2,1H3,(H,24,25,28,31)/t17-,20-,21+,22-/m1/s1
InChIKey
IYZCYIAXPAFPOB-HLRQEUIKSA-N
Compound name
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

453.28387 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.29115 214.9
[M+Na]+ 476.27309 220.5
[M+NH4]+ 471.31769 215.8
[M+K]+ 492.24703 218.6
[M-H]- 452.27659 214.1
[M+Na-2H]- 474.25854 212.4
[M]+ 453.28332 214.6
[M]- 453.28442 214.6
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

patents stripe