CID 511236

(s)-2-{[(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-methoxy-phosphorylamino}-propionic acid methyl ester

Structural Information

Molecular Formula
C15H23N6O8P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC)N=[N+]=[N-]
InChI
InChI=1S/C15H23N6O8P/c1-8-6-21(15(24)17-13(8)22)12-5-10(18-20-16)11(29-12)7-28-30(25,27-4)19-9(2)14(23)26-3/h6,9-12H,5,7H2,1-4H3,(H,19,25)(H,17,22,24)/t9-,10-,11+,12+,30?/m0/s1
InChIKey
SKMBZJMXDUZXJY-IFFQHHALSA-N
Compound name
methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1315 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.13878 193.1
[M+Na]+ 469.12072 196.0
[M-H]- 445.12422 198.7
[M+NH4]+ 464.16532 199.0
[M+K]+ 485.09466 192.6
[M+H-H2O]+ 429.12876 185.9
[M+HCOO]- 491.12970 220.8
[M+CH3COO]- 505.14535 231.5
[M+Na-2H]- 467.10617 198.1
[M]+ 446.13095 195.4
[M]- 446.13205 195.4
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.