CID 474926

Azt-n4-pamddc

Structural Information

Molecular Formula
C35H55N8O10P
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)COP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI
InChI=1S/C35H55N8O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-30(44)37-29-19-20-42(34(46)38-29)31-18-17-26(52-31)23-50-54(48,49)51-24-28-27(40-41-36)21-32(53-28)43-22-25(2)33(45)39-35(43)47/h19-20,22,26-28,31-32H,3-18,21,23-24H2,1-2H3,(H,48,49)(H,39,45,47)(H,37,38,44,46)/t26-,27-,28+,31+,32+/m0/s1
InChIKey
LQPNGMSOLKIECQ-IIYBCFIJSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2S,5R)-5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

778.37787 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.38515 264.4
[M+Na]+ 801.36709 268.1
[M-H]- 777.37059 260.7
[M+NH4]+ 796.41169 266.0
[M+K]+ 817.34103 264.8
[M+H-H2O]+ 761.37513 250.2
[M+HCOO]- 823.37607 267.0
[M+CH3COO]- 837.39172 292.2
[M+Na-2H]- 799.35254 280.8
[M]+ 778.37732 285.9
[M]- 778.37842 285.9
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.