CID 168265192

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

Structural Information

Molecular Formula
C24H23N5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N5O4/c1-15-13-28(24(32)25-23(15)31)20-12-18(19(14-30)33-20)29-22(17-10-6-3-7-11-17)21(26-27-29)16-8-4-2-5-9-16/h2-11,13,18-20,30H,12,14H2,1H3,(H,25,31,32)/t18-,19+,20+/m0/s1
InChIKey
WFNJKJAHSBIMBY-XUVXKRRUSA-N
Compound name
1-[(2R,4S,5S)-4-(4,5-diphenyltriazol-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.17502 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 205.7
[M+Na]+ 468.16424 214.3
[M-H]- 444.16774 214.9
[M+NH4]+ 463.20884 208.1
[M+K]+ 484.13818 207.2
[M+H-H2O]+ 428.17228 193.5
[M+HCOO]- 490.17322 219.1
[M+CH3COO]- 504.18887 213.3
[M+Na-2H]- 466.14969 201.2
[M]+ 445.17447 205.4
[M]- 445.17557 205.4
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.