CID 451828

5'-amino-2',5'-dideoxy-5-ethyluridine

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O
InChI
InChI=1S/C11H17N3O4/c1-2-6-5-14(11(17)13-10(6)16)9-3-7(15)8(4-12)18-9/h5,7-9,15H,2-4,12H2,1H3,(H,13,16,17)/t7-,8+,9+/m0/s1
InChIKey
FOMRIWPLPAZXFI-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

255.1219 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 156.8
[M+Na]+ 278.11112 165.6
[M-H]- 254.11462 159.3
[M+NH4]+ 273.15572 170.2
[M+K]+ 294.08506 162.4
[M+H-H2O]+ 238.11916 149.4
[M+HCOO]- 300.12010 174.9
[M+CH3COO]- 314.13575 191.9
[M+Na-2H]- 276.09657 157.5
[M]+ 255.12135 155.3
[M]- 255.12245 155.3
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