CID 452580

5'meovalpo3(bu)t

Structural Information

Molecular Formula
C20H34N3O9P
SMILES
CCCCOP(=O)(NC(C(C)C)C(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O
InChI
InChI=1S/C20H34N3O9P/c1-6-7-8-30-33(28,22-17(12(2)3)19(26)29-5)31-11-15-14(24)9-16(32-15)23-10-13(4)18(25)21-20(23)27/h10,12,14-17,24H,6-9,11H2,1-5H3,(H,22,28)(H,21,25,27)/t14-,15+,16+,17?,33?/m0/s1
InChIKey
FEOYEGFEIQCORV-KVAWVQQISA-N
Compound name
methyl 2-[[butoxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.20328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.21056 211.3
[M+Na]+ 514.19250 213.3
[M-H]- 490.19600 212.0
[M+NH4]+ 509.23710 214.7
[M+K]+ 530.16644 214.4
[M+H-H2O]+ 474.20054 200.7
[M+HCOO]- 536.20148 228.6
[M+CH3COO]- 550.21713 239.0
[M+Na-2H]- 512.17795 205.5
[M]+ 491.20273 217.7
[M]- 491.20383 217.7
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.