CID 24769037

Tmc-649128

Structural Information

Molecular Formula
C18H26N6O6
SMILES
C[C@H]1[C@@H]([C@](O[C@H]1N2C=CC(=NC2=O)N)(COC(=O)C(C)C)N=[N+]=[N-])OC(=O)C(C)C
InChI
InChI=1S/C18H26N6O6/c1-9(2)15(25)28-8-18(22-23-20)13(29-16(26)10(3)4)11(5)14(30-18)24-7-6-12(19)21-17(24)27/h6-7,9-11,13-14H,8H2,1-5H3,(H2,19,21,27)/t11-,13-,14+,18+/m0/s1
InChIKey
XJBILYMRFVHPJB-XJQUKVTJSA-N
Compound name
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

216
Patents

422.19138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19866 194.8
[M+Na]+ 445.18060 201.4
[M+NH4]+ 440.22520 197.8
[M+K]+ 461.15454 202.4
[M-H]- 421.18410 197.6
[M+Na-2H]- 443.16605 196.7
[M]+ 422.19083 195.8
[M]- 422.19193 195.8
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

patents stripe