CID 170855269

Methyl (2s)-1-[[(2s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-phenoxy-phosphoryl]pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C22H27N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC([C@H](O2)COP(=O)(N3CCC[C@H]3C(=O)OC)OC4=CC=CC=C4)N=[N+]=[N-]
InChI
InChI=1S/C22H27N6O8P/c1-14-12-27(22(31)24-20(14)29)19-11-16(25-26-23)18(35-19)13-34-37(32,36-15-7-4-3-5-8-15)28-10-6-9-17(28)21(30)33-2/h3-5,7-8,12,16-19H,6,9-11,13H2,1-2H3,(H,24,29,31)/t16?,17-,18+,19+,37?/m0/s1
InChIKey
HKNDKCUOBNYPBB-CLHHSOGWSA-N
Compound name
methyl (2S)-1-[[(2S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.1628 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.17008 214.2
[M+Na]+ 557.15202 214.7
[M-H]- 533.15552 224.5
[M+NH4]+ 552.19662 215.9
[M+K]+ 573.12596 209.8
[M+H-H2O]+ 517.16006 205.2
[M+HCOO]- 579.16100 238.0
[M+CH3COO]- 593.17665 243.3
[M+Na-2H]- 555.13747 215.9
[M]+ 534.16225 213.2
[M]- 534.16335 213.2
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.