CID 6482479

2'-amino-2'-deoxyuridine

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N
InChI
InChI=1S/C9H13N3O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3,10H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1
InChIKey
LLIPTMWIZVIUSX-XVFCMESISA-N
Compound name
1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1330
Patents

243.08553 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.092806 150.8
[M+Na]+ 266.074748 159.8
[M-H]- 242.078254 152.3
[M+NH4]+ 261.119353 163.8
[M+K]+ 282.048688 156.8
[M+H-H2O]+ 226.082790 143.7
[M+HCOO]- 288.083731 168.2
[M+CH3COO]- 302.099381 186.2
[M+Na-2H]- 264.060196 152.2
[M]+ 243.08498142 148.2
[M]- 243.08607858 148.2
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