CID 512736

57741-92-1

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C14H22N2O5/c1-2-3-4-5-9-7-16(14(20)15-13(9)19)12-6-10(18)11(8-17)21-12/h7,10-12,17-18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m0/s1
InChIKey
XHECGZZFFBAZGP-QJPTWQEYSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pentylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

298.15286 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 168.3
[M+Na]+ 321.14208 176.1
[M-H]- 297.14558 169.4
[M+NH4]+ 316.18668 179.7
[M+K]+ 337.11602 172.4
[M+H-H2O]+ 281.15012 160.9
[M+HCOO]- 343.15106 183.7
[M+CH3COO]- 357.16671 196.1
[M+Na-2H]- 319.12753 167.7
[M]+ 298.15231 169.2
[M]- 298.15341 169.2
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