CID 495623

Nsc663415

Structural Information

Molecular Formula
C22H34N5O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)COP(=O)(OCC(=O)C(C)(C)C)OCC(=O)C(C)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C22H34N5O9P/c1-13-9-27(20(31)24-19(13)30)18-8-14(25-26-23)15(36-18)10-33-37(32,34-11-16(28)21(2,3)4)35-12-17(29)22(5,6)7/h9,14-15,18H,8,10-12H2,1-7H3,(H,24,30,31)/t14-,15+,18+/m1/s1
InChIKey
HWJSEVWVVZCPMV-VKJFTORMSA-N
Compound name
[(2R,3R,5S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(3,3-dimethyl-2-oxobutyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.2094 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.21668 217.4
[M+Na]+ 566.19862 235.0
[M-H]- 542.20212 232.3
[M+NH4]+ 561.24322 233.9
[M+K]+ 582.17256 224.2
[M+H-H2O]+ 526.20666 204.8
[M+HCOO]- 588.20760 247.7
[M+CH3COO]- 602.22325 247.7
[M+Na-2H]- 564.18407 208.8
[M]+ 543.20885 215.4
[M]- 543.20995 215.4
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.