CID 474527

N^4-pamddc

Structural Information

Molecular Formula
C25H43N3O4
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C25H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)26-22-18-19-28(25(31)27-22)24-17-16-21(20-29)32-24/h18-19,21,24,29H,2-17,20H2,1H3,(H,26,27,30,31)/t21-,24+/m0/s1
InChIKey
PQTVYTMWPWNAQH-XUZZJYLKSA-N
Compound name
N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

449.32535 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.33263 216.5
[M+Na]+ 472.31457 217.3
[M-H]- 448.31807 217.6
[M+NH4]+ 467.35917 222.1
[M+K]+ 488.28851 213.0
[M+H-H2O]+ 432.32261 205.8
[M+HCOO]- 494.32355 231.1
[M+CH3COO]- 508.33920 233.7
[M+Na-2H]- 470.30002 212.0
[M]+ 449.32480 221.1
[M]- 449.32590 221.1
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