CID 461273

Myr-azttp

Structural Information

Molecular Formula
C24H42N5O14P3
SMILES
CCCCCCCCCCCCCC(=O)OP(=O)(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/C24H42N5O14P3/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(30)41-45(35,36)43-46(37,38)42-44(33,34)39-17-20-19(27-28-25)15-21(40-20)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,37,38)(H,26,31,32)/t19-,20+,21+/m0/s1
InChIKey
CMUXDDLGUYATEL-PWRODBHTSA-N
Compound name
[[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

717.1941 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 718.20138 264.4
[M+Na]+ 740.18332 273.6
[M-H]- 716.18682 276.5
[M+NH4]+ 735.22792 276.0
[M+K]+ 756.15726 261.2
[M+H-H2O]+ 700.19136 234.5
[M+HCOO]- 762.19230 289.1
[M+CH3COO]- 776.20795 269.8
[M+Na-2H]- 738.16877 254.2
[M]+ 717.19355 258.7
[M]- 717.19465 258.7
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.