CID 495950

Nsc674182

Structural Information

Molecular Formula
C19H23FN3O9P
SMILES
COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OC[C@H]2[C@@H](C[C@H](O2)N3C=C(C(=O)NC3=O)F)O
InChI
InChI=1S/C19H23FN3O9P/c1-30-18(26)13(7-11-5-3-2-4-6-11)22-33(28,29)31-10-15-14(24)8-16(32-15)23-9-12(20)17(25)21-19(23)27/h2-6,9,13-16,24H,7-8,10H2,1H3,(H,21,25,27)(H2,22,28,29)/t13?,14-,15+,16+/m1/s1
InChIKey
HFEXLDAKJKRVGR-BSLWCIKASA-N
Compound name
[(2S,3R,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-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

487.1156 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.12288 204.0
[M+Na]+ 510.10482 207.0
[M-H]- 486.10832 205.8
[M+NH4]+ 505.14942 206.1
[M+K]+ 526.07876 206.6
[M+H-H2O]+ 470.11286 191.5
[M+HCOO]- 532.11380 221.1
[M+CH3COO]- 546.12945 232.4
[M+Na-2H]- 508.09027 200.5
[M]+ 487.11505 204.9
[M]- 487.11615 204.9
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.