CID 15956347

[(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-(hydroxy)oxolan-2-yl]acetate

Structural Information

Molecular Formula
C18H25N5O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC3(C[C@](CO3)(C)O)C)N=[N+]=[N-]
InChI
InChI=1S/C18H25N5O7/c1-10-6-23(16(26)20-15(10)25)13-4-11(21-22-19)12(30-13)7-28-14(24)5-18(3)8-17(2,27)9-29-18/h6,11-13,27H,4-5,7-9H2,1-3H3,(H,20,25,26)/t11-,12+,13+,17-,18?/m0/s1
InChIKey
HHHFJPNDQFEFMB-NMOUIJTNSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[(4S)-4-hydroxy-2,4-dimethyloxolan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.17538 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18266 191.6
[M+Na]+ 446.16460 196.7
[M-H]- 422.16810 200.6
[M+NH4]+ 441.20920 202.0
[M+K]+ 462.13854 191.6
[M+H-H2O]+ 406.17264 189.2
[M+HCOO]- 468.17358 211.3
[M+CH3COO]- 482.18923 221.5
[M+Na-2H]- 444.15005 196.5
[M]+ 423.17483 191.6
[M]- 423.17593 191.6
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.