CID 495952

Nsc674184

Structural Information

Molecular Formula
C21H24FN4O9P
SMILES
COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OC[C@H]3[C@@H](C[C@H](O3)N4C=C(C(=O)NC4=O)F)O
InChI
InChI=1S/C21H24FN4O9P/c1-33-20(29)15(6-11-8-23-14-5-3-2-4-12(11)14)25-36(31,32)34-10-17-16(27)7-18(35-17)26-9-13(22)19(28)24-21(26)30/h2-5,8-9,15-18,23,27H,6-7,10H2,1H3,(H,24,28,30)(H2,25,31,32)/t15?,16-,17+,18+/m1/s1
InChIKey
DPSXXNUNWHUVDI-LQJOAVHCSA-N
Compound name
[(2S,3R,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-N-[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.12646 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.13374 211.6
[M+Na]+ 549.11568 215.0
[M-H]- 525.11918 213.2
[M+NH4]+ 544.16028 212.9
[M+K]+ 565.08962 214.1
[M+H-H2O]+ 509.12372 200.4
[M+HCOO]- 571.12466 226.7
[M+CH3COO]- 585.14031 238.2
[M+Na-2H]- 547.10113 207.6
[M]+ 526.12591 213.0
[M]- 526.12701 213.0
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.