CID 15956340

[(2s,3s,5r)-3-(diazoazamvinyl)-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl 2-[(2s,4s)-2,4-dimethyl-4-(methylthiomethoxy)oxolan-2-yl]acetate

Structural Information

Molecular Formula
C20H29N5O7S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC3(C[C@](CO3)(C)OCSC)C)N=[N+]=[N-]
InChI
InChI=1S/C20H29N5O7S/c1-12-7-25(18(28)22-17(12)27)15-5-13(23-24-21)14(32-15)8-29-16(26)6-19(2)9-20(3,10-30-19)31-11-33-4/h7,13-15H,5-6,8-11H2,1-4H3,(H,22,27,28)/t13-,14+,15+,19?,20-/m0/s1
InChIKey
ZXWWWQKRJDULJL-RPEYTIFFSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[(4S)-2,4-dimethyl-4-(methylsulfanylmethoxy)oxolan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.17877 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.18605 207.1
[M+Na]+ 506.16799 211.5
[M-H]- 482.17149 216.6
[M+NH4]+ 501.21259 216.3
[M+K]+ 522.14193 206.1
[M+H-H2O]+ 466.17603 205.0
[M+HCOO]- 528.17697 223.0
[M+CH3COO]- 542.19262 232.9
[M+Na-2H]- 504.15344 210.5
[M]+ 483.17822 211.2
[M]- 483.17932 211.2
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.