CID 483706

3-aminopropyl [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl carbonate

Structural Information

Molecular Formula
C14H20N6O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)OCCCN)N=[N+]=[N-]
InChI
InChI=1S/C14H20N6O6/c1-8-6-20(13(22)17-12(8)21)11-5-9(18-19-16)10(26-11)7-25-14(23)24-4-2-3-15/h6,9-11H,2-5,7,15H2,1H3,(H,17,21,22)/t9-,10+,11+/m0/s1
InChIKey
SHYGURSEKYQFQH-HBNTYKKESA-N
Compound name
3-aminopropyl [(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.14444 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15172 181.8
[M+Na]+ 391.13366 186.9
[M-H]- 367.13716 187.8
[M+NH4]+ 386.17826 190.5
[M+K]+ 407.10760 180.6
[M+H-H2O]+ 351.14170 176.2
[M+HCOO]- 413.14264 206.4
[M+CH3COO]- 427.15829 216.0
[M+Na-2H]- 389.11911 186.5
[M]+ 368.14389 181.5
[M]- 368.14499 181.5
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.