CID 511240

[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-cyanoethyl phenyl phosphate

Structural Information

Molecular Formula
C19H21N6O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(OCCC#N)OC3=CC=CC=C3)N=[N+]=[N-]
InChI
InChI=1S/C19H21N6O7P/c1-13-11-25(19(27)22-18(13)26)17-10-15(23-24-21)16(31-17)12-30-33(28,29-9-5-8-20)32-14-6-3-2-4-7-14/h2-4,6-7,11,15-17H,5,9-10,12H2,1H3,(H,22,26,27)/t15-,16+,17+,33?/m0/s1
InChIKey
MTNAGUZRIZTJGK-YZVQADEVSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-cyanoethyl phenyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.12094 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.12822 202.7
[M+Na]+ 499.11016 207.4
[M-H]- 475.11366 207.6
[M+NH4]+ 494.15476 205.7
[M+K]+ 515.08410 200.9
[M+H-H2O]+ 459.11820 186.5
[M+HCOO]- 521.11914 225.5
[M+CH3COO]- 535.13479 240.1
[M+Na-2H]- 497.09561 206.7
[M]+ 476.12039 198.6
[M]- 476.12149 198.6
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.