CID 461270

Myr-aztdp

Structural Information

Molecular Formula
C24H41N5O11P2
SMILES
CCCCCCCCCCCCCC(=O)OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C24H41N5O11P2/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(30)39-42(35,36)40-41(33,34)37-17-20-19(27-28-25)15-21(38-20)29-16-18(2)23(31)26-24(29)32/h16,19-21H,3-15,17H2,1-2H3,(H,33,34)(H,35,36)(H,26,31,32)/t19-,20+,21+/m0/s1
InChIKey
VKLLWRXHUYBGRK-PWRODBHTSA-N
Compound name
[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

637.2278 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.23508 246.1
[M+Na]+ 660.21702 258.6
[M-H]- 636.22052 255.2
[M+NH4]+ 655.26162 256.3
[M+K]+ 676.19096 246.0
[M+H-H2O]+ 620.22506 225.1
[M+HCOO]- 682.22600 272.8
[M+CH3COO]- 696.24165 260.0
[M+Na-2H]- 658.20247 229.3
[M]+ 637.22725 238.2
[M]- 637.22835 238.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.