CID 471078

Nsc661056

Structural Information

Molecular Formula
C23H37N5O6
SMILES
CCCCCCCCCCOCCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C23H37N5O6/c1-3-4-5-6-7-8-9-10-12-32-13-11-21(29)33-16-19-18(26-27-24)14-20(34-19)28-15-17(2)22(30)25-23(28)31/h15,18-20H,3-14,16H2,1-2H3,(H,25,30,31)/t18-,19+,20+/m0/s1
InChIKey
GGYSCIXNLYPQCO-XUVXKRRUSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 3-decoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.27438 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.28166 219.5
[M+Na]+ 502.26360 221.6
[M-H]- 478.26710 224.4
[M+NH4]+ 497.30820 224.3
[M+K]+ 518.23754 213.7
[M+H-H2O]+ 462.27164 212.8
[M+HCOO]- 524.27258 240.7
[M+CH3COO]- 538.28823 238.6
[M+Na-2H]- 500.24905 220.1
[M]+ 479.27383 224.0
[M]- 479.27493 224.0
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.