CID 111081

5-amino-2'-deoxyuridine

Structural Information

Molecular Formula
C9H13N3O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)N)CO)O
InChI
InChI=1S/C9H13N3O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3,10H2,(H,11,15,16)/t5-,6+,7+/m0/s1
InChIKey
OZMVAFPILSPXRM-RRKCRQDMSA-N
Compound name
5-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

33
Patents

243.08553 Da
Monoisotopic Mass

-2.0
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

literature stripe

Patent stripe

patents stripe