CID 454737

3nh-ddt

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=CN(C(=O)N(C1=O)N)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C10H15N3O4/c1-6-4-12(10(16)13(11)9(6)15)8-3-2-7(5-14)17-8/h4,7-8,14H,2-3,5,11H2,1H3/t7-,8+/m0/s1
InChIKey
IDKFZQUCVUTHLO-JGVFFNPUSA-N
Compound name
3-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.10626 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 151.4
[M+Na]+ 264.09548 161.2
[M-H]- 240.09898 155.5
[M+NH4]+ 259.14008 166.1
[M+K]+ 280.06942 159.1
[M+H-H2O]+ 224.10352 144.1
[M+HCOO]- 286.10446 171.4
[M+CH3COO]- 300.12011 191.1
[M+Na-2H]- 262.08093 153.2
[M]+ 241.10571 151.4
[M]- 241.10681 151.4
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.