CID 168265097

1-[(2r,4s,5s)-5-(hydroxymethyl)-4-[4-(4-hydroxyphenyl)triazol-1-yl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H19N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C=C(N=N3)C4=CC=C(C=C4)O
InChI
InChI=1S/C18H19N5O5/c1-10-7-22(18(27)19-17(10)26)16-6-14(15(9-24)28-16)23-8-13(20-21-23)11-2-4-12(25)5-3-11/h2-5,7-8,14-16,24-25H,6,9H2,1H3,(H,19,26,27)/t14-,15+,16+/m0/s1
InChIKey
PIYFLRKYLFBRMI-ARFHVFGLSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[4-(4-hydroxyphenyl)triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.1386 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14588 189.1
[M+Na]+ 408.12782 198.6
[M-H]- 384.13132 194.6
[M+NH4]+ 403.17242 194.0
[M+K]+ 424.10176 193.1
[M+H-H2O]+ 368.13586 179.0
[M+HCOO]- 430.13680 202.3
[M+CH3COO]- 444.15245 197.7
[M+Na-2H]- 406.11327 185.6
[M]+ 385.13805 189.4
[M]- 385.13915 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.