CID 496368

Nsc687374

Structural Information

Molecular Formula
C31H56N5O9P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O
InChI
InChI=1S/C31H56N5O9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-42-22-26(37)23-43-46(40,41)44-24-28-27(34-35-32)20-29(45-28)36-21-25(2)30(38)33-31(36)39/h21,26-29,37H,3-20,22-24H2,1-2H3,(H,40,41)(H,33,38,39)/t26-,27+,28-,29-/m1/s1
InChIKey
UKBFVLBUNOBMIV-VJLHXPKFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R)-2-hydroxy-3-octadecoxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

673.3816 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.38888 262.7
[M+Na]+ 696.37082 275.0
[M-H]- 672.37432 265.2
[M+NH4]+ 691.41542 269.1
[M+K]+ 712.34476 265.4
[M+H-H2O]+ 656.37886 248.9
[M+HCOO]- 718.37980 285.0
[M+CH3COO]- 732.39545 270.9
[M+Na-2H]- 694.35627 245.1
[M]+ 673.38105 253.9
[M]- 673.38215 253.9
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.