CID 486643

5-[[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxycarbonylamino]-5-oxo-pentanoic acid

Structural Information

Molecular Formula
C16H20N6O8
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)NC(=O)CCCC(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C16H20N6O8/c1-8-6-22(15(27)19-14(8)26)12-5-9(20-21-17)10(30-12)7-29-16(28)18-11(23)3-2-4-13(24)25/h6,9-10,12H,2-5,7H2,1H3,(H,24,25)(H,18,23,28)(H,19,26,27)/t9-,10+,12+/m0/s1
InChIKey
GZZNXJVUBLQJOM-HOSYDEDBSA-N
Compound name
5-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.13425 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14153 192.6
[M+Na]+ 447.12347 195.7
[M-H]- 423.12697 197.7
[M+NH4]+ 442.16807 198.0
[M+K]+ 463.09741 190.1
[M+H-H2O]+ 407.13151 187.2
[M+HCOO]- 469.13245 214.4
[M+CH3COO]- 483.14810 224.2
[M+Na-2H]- 445.10892 195.7
[M]+ 424.13370 192.0
[M]- 424.13480 192.0
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.