CID 474376

Nsc657734

Structural Information

Molecular Formula
C21H33N5O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CCCCCCCCCCN=[N+]=[N-])O
InChI
InChI=1S/C21H33N5O6/c1-15-13-26(21(30)24-20(15)29)18-12-16(27)17(32-18)14-31-19(28)10-8-6-4-2-3-5-7-9-11-23-25-22/h13,16-18,27H,2-12,14H2,1H3,(H,24,29,30)/t16-,17+,18+/m0/s1
InChIKey
FJMKSIMLCHIMBK-RCCFBDPRSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 11-azidoundecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.24307 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.25035 210.2
[M+Na]+ 474.23229 212.6
[M-H]- 450.23579 214.0
[M+NH4]+ 469.27689 215.4
[M+K]+ 490.20623 204.4
[M+H-H2O]+ 434.24033 204.0
[M+HCOO]- 496.24127 230.6
[M+CH3COO]- 510.25692 230.4
[M+Na-2H]- 472.21774 211.4
[M]+ 451.24252 212.2
[M]- 451.24362 212.2
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.