CID 461275

Myr-aztmp

Structural Information

Molecular Formula
C24H40N5O8P
SMILES
CCCCCCCCCCCCCC(=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/C24H40N5O8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-22(30)37-38(33,34)35-17-20-19(27-28-25)15-21(36-20)29-16-18(2)23(31)26-24(29)32/h16,19-21H,3-15,17H2,1-2H3,(H,33,34)(H,26,31,32)/t19-,20+,21+/m0/s1
InChIKey
UKGSSADQICBWMJ-PWRODBHTSA-N
Compound name
[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.2615 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.26878 235.0
[M+Na]+ 580.25072 250.9
[M-H]- 556.25422 240.8
[M+NH4]+ 575.29532 243.7
[M+K]+ 596.22466 225.6
[M+H-H2O]+ 540.25876 224.1
[M+HCOO]- 602.25970 263.0
[M+CH3COO]- 616.27535 249.7
[M+Na-2H]- 578.23617 233.1
[M]+ 557.26095 227.4
[M]- 557.26205 227.4
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.