CID 454166

3iprazt

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CC1=CN(C(=O)N(C1=O)C(C)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C13H19N5O4/c1-7(2)18-12(20)8(3)5-17(13(18)21)11-4-9(15-16-14)10(6-19)22-11/h5,7,9-11,19H,4,6H2,1-3H3/t9-,10+,11+/m0/s1
InChIKey
SWLWJPIDEHCUKU-HBNTYKKESA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1437 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15098 171.0
[M+Na]+ 332.13292 178.8
[M-H]- 308.13642 178.0
[M+NH4]+ 327.17752 183.4
[M+K]+ 348.10686 172.3
[M+H-H2O]+ 292.14096 166.8
[M+HCOO]- 354.14190 195.1
[M+CH3COO]- 368.15755 207.2
[M+Na-2H]- 330.11837 175.1
[M]+ 309.14315 170.8
[M]- 309.14425 170.8
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.