CID 55262

Navuridine

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H11N5O4/c10-13-12-5-3-8(18-6(5)4-15)14-2-1-7(16)11-9(14)17/h1-2,5-6,8,15H,3-4H2,(H,11,16,17)/t5-,6+,8+/m0/s1
InChIKey
ZSNNBSPEFVIUDS-SHYZEUOFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

27
References

1121
Patents

253.0811 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 151.4
[M+Na]+ 276.07032 162.2
[M+NH4]+ 271.11492 156.5
[M+K]+ 292.04426 162.4
[M-H]- 252.07382 155.5
[M+Na-2H]- 274.05577 155.6
[M]+ 253.08055 153.4
[M]- 253.08165 153.4
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