CID 494460

Nsc624487

Structural Information

Molecular Formula
C23H23N5O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CC3=CC(=CC=C3)OCC4=CC=CC=C4)CO)N=[N+]=[N-]
InChI
InChI=1S/C23H23N5O5/c24-27-26-19-11-21(33-20(19)13-29)28-12-17(22(30)25-23(28)31)9-16-7-4-8-18(10-16)32-14-15-5-2-1-3-6-15/h1-8,10,12,19-21,29H,9,11,13-14H2,(H,25,30,31)/t19-,20+,21+/m0/s1
InChIKey
ADWMTRUEIHZGAB-PWRODBHTSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.16992 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17720 206.3
[M+Na]+ 472.15914 210.7
[M-H]- 448.16264 217.3
[M+NH4]+ 467.20374 210.5
[M+K]+ 488.13308 200.7
[M+H-H2O]+ 432.16718 198.1
[M+HCOO]- 494.16812 228.7
[M+CH3COO]- 508.18377 228.6
[M+Na-2H]- 470.14459 210.7
[M]+ 449.16937 204.3
[M]- 449.17047 204.3
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.