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

1376
Patents

243.08553 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09281 150.8
[M+Na]+ 266.07475 159.8
[M-H]- 242.07825 152.3
[M+NH4]+ 261.11935 163.8
[M+K]+ 282.04869 156.8
[M+H-H2O]+ 226.08279 143.7
[M+HCOO]- 288.08373 168.2
[M+CH3COO]- 302.09938 186.2
[M+Na-2H]- 264.06020 152.2
[M]+ 243.08498 148.2
[M]- 243.08608 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.