CID 474666

1-[(2s,4r,5r)-4-azido-5-[[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-(butylamino)phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H34N11O9P
SMILES
CCCCNP(=O)(OC[C@H]1[C@@H](C[C@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-]
InChI
InChI=1S/C24H34N11O9P/c1-4-5-6-27-45(40,41-11-17-15(30-32-25)7-19(43-17)34-9-13(2)21(36)28-23(34)38)42-12-18-16(31-33-26)8-20(44-18)35-10-14(3)22(37)29-24(35)39/h9-10,15-20H,4-8,11-12H2,1-3H3,(H,27,40)(H,28,36,38)(H,29,37,39)/t15-,16+,17+,18-,19+,20-,45?
InChIKey
LQMDXTAKSODTSQ-JDJYOMBTSA-N
Compound name
1-[(2S,4R,5R)-4-azido-5-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-(butylamino)phosphoryl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

651.22784 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 652.23512 240.5
[M+Na]+ 674.21706 244.1
[M-H]- 650.22056 238.1
[M+NH4]+ 669.26166 243.9
[M+K]+ 690.19100 245.2
[M+H-H2O]+ 634.22510 230.0
[M+HCOO]- 696.22604 245.2
[M+CH3COO]- 710.24169 268.9
[M+Na-2H]- 672.20251 268.5
[M]+ 651.22729 276.1
[M]- 651.22839 276.1
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.