CID 452699

132149-49-6

Structural Information

Molecular Formula
C13H15N5O6
SMILES
CC1=NC(=CN1[C@H]2C[C@@H](O[C@@H]2CO)N3C=CC(=O)NC3=O)[N+](=O)[O-]
InChI
InChI=1S/C13H15N5O6/c1-7-14-10(18(22)23)5-17(7)8-4-12(24-9(8)6-19)16-3-2-11(20)15-13(16)21/h2-3,5,8-9,12,19H,4,6H2,1H3,(H,15,20,21)/t8-,9+,12+/m0/s1
InChIKey
UXHGVQQEYTYSKH-YGOYTEALSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(2-methyl-4-nitroimidazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.10223 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.10951 172.7
[M+Na]+ 360.09145 180.5
[M-H]- 336.09495 177.4
[M+NH4]+ 355.13605 180.7
[M+K]+ 376.06539 173.2
[M+H-H2O]+ 320.09949 168.3
[M+HCOO]- 382.10043 190.0
[M+CH3COO]- 396.11608 197.8
[M+Na-2H]- 358.07690 174.9
[M]+ 337.10168 171.2
[M]- 337.10278 171.2
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.