CID 390217

Nsc687373

Structural Information

Molecular Formula
C47H86N5O10P
SMILES
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C47H86N5O10P/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-34-58-37-41(61-45(53)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2)38-59-63(56,57)60-39-43-42(50-51-48)35-44(62-43)52-36-40(3)46(54)49-47(52)55/h36,41-44H,4-35,37-39H2,1-3H3,(H,56,57)(H,49,54,55)
InChIKey
VTNCWVQYHJACRS-UHFFFAOYSA-N
Compound name
[1-[[3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-octadecoxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

911.6112 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 912.61848 314.0
[M+Na]+ 934.60042 324.5
[M-H]- 910.60392 314.1
[M+NH4]+ 929.64502 324.8
[M+K]+ 950.57436 321.9
[M+H-H2O]+ 894.60846 300.5
[M+HCOO]- 956.60940 329.7
[M+CH3COO]- 970.62505 316.7
[M+Na-2H]- 932.58587 291.7
[M]+ 911.61065 308.0
[M]- 911.61175 308.0
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.