CID 454163

3meazt

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O4/c1-6-4-16(11(19)15(2)10(6)18)9-3-7(13-14-12)8(5-17)20-9/h4,7-9,17H,3,5H2,1-2H3/t7-,8+,9+/m0/s1
InChIKey
JGCREOPXXXOGBE-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

281.1124 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.7
[M+Na]+ 304.10162 170.7
[M-H]- 280.10512 169.1
[M+NH4]+ 299.14622 175.4
[M+K]+ 320.07556 164.1
[M+H-H2O]+ 264.10966 157.7
[M+HCOO]- 326.11060 187.6
[M+CH3COO]- 340.12625 200.3
[M+Na-2H]- 302.08707 168.0
[M]+ 281.11185 161.5
[M]- 281.11295 161.5
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