CID 493564

3'-azido-2',3'-dideoxy-5-[[[3-(methoxycarbonyl)propyl]-amino]-3-oxopropyl]uridine

Structural Information

Molecular Formula
C17H24N6O7
SMILES
COC(=O)CCCNC(=O)CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C17H24N6O7/c1-29-15(26)3-2-6-19-13(25)5-4-10-8-23(17(28)20-16(10)27)14-7-11(21-22-18)12(9-24)30-14/h8,11-12,14,24H,2-7,9H2,1H3,(H,19,25)(H,20,27,28)/t11-,12+,14+/m0/s1
InChIKey
YFHYVULTUZUOSN-OUCADQQQSA-N
Compound name
methyl 4-[3-[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.17065 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17793 195.8
[M+Na]+ 447.15987 198.8
[M-H]- 423.16337 200.6
[M+NH4]+ 442.20447 201.5
[M+K]+ 463.13381 192.2
[M+H-H2O]+ 407.16791 190.1
[M+HCOO]- 469.16885 217.9
[M+CH3COO]- 483.18450 225.5
[M+Na-2H]- 445.14532 199.2
[M]+ 424.17010 195.7
[M]- 424.17120 195.7
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.