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

2
Patents

241.10626 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.113536 151.4
[M+Na]+ 264.095478 161.2
[M-H]- 240.098984 155.5
[M+NH4]+ 259.140083 166.1
[M+K]+ 280.069418 159.1
[M+H-H2O]+ 224.103520 144.1
[M+HCOO]- 286.104461 171.4
[M+CH3COO]- 300.120111 191.1
[M+Na-2H]- 262.080926 153.2
[M]+ 241.10571142 151.4
[M]- 241.10680858 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

patents stripe