CID 42985

Brn 0728949

Structural Information

Molecular Formula
C26H45N3O6
SMILES
CCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C26H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(31)27-21-17-18-29(26(34)28-21)25-24(33)23(32)20(19-30)35-25/h17-18,20,23-25,30,32-33H,2-16,19H2,1H3,(H,27,28,31,34)/t20-,23-,24+,25-/m1/s1
InChIKey
PUELOMOZSSTZTD-ZBCONREDSA-N
Compound name
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

495.33084 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.33812 227.7
[M+Na]+ 518.32006 232.7
[M+NH4]+ 513.36466 228.1
[M+K]+ 534.29400 230.1
[M-H]- 494.32356 226.8
[M+Na-2H]- 516.30551 224.5
[M]+ 495.33029 227.3
[M]- 495.33139 227.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe