CID 168265191

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

Structural Information

Molecular Formula
C19H21N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=CN=N3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C19H21N5O5/c1-11-9-23(19(27)21-18(11)26)17-7-14(16(10-25)29-17)24-15(8-20-22-24)12-3-5-13(28-2)6-4-12/h3-6,8-9,14,16-17,25H,7,10H2,1-2H3,(H,21,26,27)/t14-,16+,17+/m0/s1
InChIKey
YKQPMKYUAAXBNJ-USXIJHARSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-[5-(4-methoxyphenyl)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

399.15427 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16155 192.8
[M+Na]+ 422.14349 202.3
[M-H]- 398.14699 199.3
[M+NH4]+ 417.18809 197.8
[M+K]+ 438.11743 197.3
[M+H-H2O]+ 382.15153 182.2
[M+HCOO]- 444.15247 207.1
[M+CH3COO]- 458.16812 201.6
[M+Na-2H]- 420.12894 189.2
[M]+ 399.15372 195.0
[M]- 399.15482 195.0
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.