CID 41563

Brn 0769413

Structural Information

Molecular Formula
C21H35N3O6
SMILES
CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C21H35N3O6/c1-2-3-4-5-6-7-8-9-10-11-17(26)22-16-12-13-24(21(29)23-16)20-19(28)18(27)15(14-25)30-20/h12-13,15,18-20,25,27-28H,2-11,14H2,1H3,(H,22,23,26,29)/t15-,18-,19+,20-/m1/s1
InChIKey
DIQMOLNTZYUDBX-GEALJGNFSA-N
Compound name
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

425.2526 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25988 206.3
[M+Na]+ 448.24182 212.3
[M+NH4]+ 443.28642 207.6
[M+K]+ 464.21576 210.9
[M-H]- 424.24532 205.6
[M+Na-2H]- 446.22727 204.3
[M]+ 425.25205 206.1
[M]- 425.25315 206.1
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