CID 15956349

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

Structural Information

Molecular Formula
C18H24N2O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)CC3(C[C@](CO3)(C)O)C
InChI
InChI=1S/C18H24N2O7/c1-11-7-20(16(23)19-15(11)22)13-5-4-12(27-13)8-25-14(21)6-18(3)9-17(2,24)10-26-18/h4-5,7,12-13,24H,6,8-10H2,1-3H3,(H,19,22,23)/t12-,13+,17-,18?/m0/s1
InChIKey
HBILVNGGDHZRKD-HSVNISMYSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-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

380.15836 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16564 180.7
[M+Na]+ 403.14758 188.8
[M-H]- 379.15108 187.7
[M+NH4]+ 398.19218 193.3
[M+K]+ 419.12152 188.2
[M+H-H2O]+ 363.15562 175.2
[M+HCOO]- 425.15656 195.7
[M+CH3COO]- 439.17221 210.6
[M+Na-2H]- 401.13303 180.7
[M]+ 380.15781 184.9
[M]- 380.15891 184.9
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.