CID 451374

3'-azido-ddc

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C9H12N6O3/c10-7-1-2-15(9(17)12-7)8-3-5(13-14-11)6(4-16)18-8/h1-2,5-6,8,16H,3-4H2,(H2,10,12,17)/t5-,6+,8+/m0/s1
InChIKey
YIEFKLOVIROQIL-SHYZEUOFSA-N
Compound name
4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

81
Patents

252.09709 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 151.8
[M+Na]+ 275.08631 158.8
[M-H]- 251.08981 158.1
[M+NH4]+ 270.13091 165.4
[M+K]+ 291.06025 152.4
[M+H-H2O]+ 235.09435 147.1
[M+HCOO]- 297.09529 178.4
[M+CH3COO]- 311.11094 194.8
[M+Na-2H]- 273.07176 159.9
[M]+ 252.09654 147.7
[M]- 252.09764 147.7
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