CID 160155

5-propyl-2'-deoxyuridine

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H18N2O5/c1-2-3-7-5-14(12(18)13-11(7)17)10-4-8(16)9(6-15)19-10/h5,8-10,15-16H,2-4,6H2,1H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
MBERTAKFBYOAHR-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

44
Patents

270.12158 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 159.4
[M+Na]+ 293.11080 168.1
[M-H]- 269.11430 160.9
[M+NH4]+ 288.15540 172.0
[M+K]+ 309.08474 164.9
[M+H-H2O]+ 253.11884 152.4
[M+HCOO]- 315.11978 175.5
[M+CH3COO]- 329.13543 190.1
[M+Na-2H]- 291.09625 159.8
[M]+ 270.12103 159.6
[M]- 270.12213 159.6
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