CID 451844

3'-n3-5-nme2-ddu

Structural Information

Molecular Formula
C11H16N6O4
SMILES
CN(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H16N6O4/c1-16(2)7-4-17(11(20)13-10(7)19)9-3-6(14-15-12)8(5-18)21-9/h4,6,8-9,18H,3,5H2,1-2H3,(H,13,19,20)/t6-,8+,9+/m0/s1
InChIKey
SGKHUXSYWIWHBC-NBEYISGCSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(dimethylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

296.1233 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13058 164.3
[M+Na]+ 319.11252 171.0
[M-H]- 295.11602 171.2
[M+NH4]+ 314.15712 176.4
[M+K]+ 335.08646 164.9
[M+H-H2O]+ 279.12056 159.6
[M+HCOO]- 341.12150 190.1
[M+CH3COO]- 355.13715 205.0
[M+Na-2H]- 317.09797 170.8
[M]+ 296.12275 162.2
[M]- 296.12385 162.2
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

patents stripe