CID 384411

Nsc674186

Structural Information

Molecular Formula
C19H25N4O9P
SMILES
COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O
InChI
InChI=1S/C19H25N4O9P/c1-30-18(26)12(9-11-5-3-2-4-6-11)22-33(28,29)31-10-13-15(24)16(25)17(32-13)23-8-7-14(20)21-19(23)27/h2-8,12-13,15-17,24-25H,9-10H2,1H3,(H2,20,21,27)(H2,22,28,29)
InChIKey
YMHTWXJYERSYMA-UHFFFAOYSA-N
Compound name
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.13593 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.14321 205.0
[M+Na]+ 507.12515 206.6
[M-H]- 483.12865 207.7
[M+NH4]+ 502.16975 206.6
[M+K]+ 523.09909 207.3
[M+H-H2O]+ 467.13319 193.0
[M+HCOO]- 529.13413 223.3
[M+CH3COO]- 543.14978 235.9
[M+Na-2H]- 505.11060 202.0
[M]+ 484.13538 205.9
[M]- 484.13648 205.9
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.