CID 3009338

Tmed-azt

Structural Information

Molecular Formula
C23H42N7O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OCCCCCCCCN(C)CCN(C)C)N=[N+]=[N-]
InChI
InChI=1S/C23H42N7O7P/c1-18-16-30(23(32)25-22(18)31)21-15-19(26-27-24)20(37-21)17-36-38(33,34)35-14-10-8-6-5-7-9-11-29(4)13-12-28(2)3/h16,19-21H,5-15,17H2,1-4H3,(H,33,34)(H,25,31,32)/t19-,20+,21+/m0/s1
InChIKey
JMKCWFNJWYHOJM-PWRODBHTSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 8-[2-(dimethylamino)ethyl-methylamino]octyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.2883 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.29558 249.5
[M+Na]+ 582.27752 269.5
[M-H]- 558.28102 260.4
[M+NH4]+ 577.32212 260.9
[M+K]+ 598.25146 225.3
[M+H-H2O]+ 542.28556 221.4
[M+HCOO]- 604.28650 273.7
[M+CH3COO]- 618.30215 261.6
[M+Na-2H]- 580.26297 232.7
[M]+ 559.28775 239.7
[M]- 559.28885 239.7
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.