CID 474375

Nsc656717

Structural Information

Molecular Formula
C24H39N5O6
SMILES
CCCCCCCCCCCCC(C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)N=[N+]=[N-]
InChI
InChI=1S/C24H39N5O6/c1-3-4-5-6-7-8-9-10-11-12-13-18(27-28-25)23(32)34-16-20-19(30)14-21(35-20)29-15-17(2)22(31)26-24(29)33/h15,18-21,30H,3-14,16H2,1-2H3,(H,26,31,33)/t18?,19-,20+,21+/m0/s1
InChIKey
KTNMAFCQXOXGDE-CIKZGZDFSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-azidotetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.29004 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.29732 223.7
[M+Na]+ 516.27926 224.5
[M-H]- 492.28276 227.1
[M+NH4]+ 511.32386 227.1
[M+K]+ 532.25320 216.3
[M+H-H2O]+ 476.28730 217.3
[M+HCOO]- 538.28824 242.1
[M+CH3COO]- 552.30389 239.9
[M+Na-2H]- 514.26471 222.4
[M]+ 493.28949 226.1
[M]- 493.29059 226.1
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.