CID 500518

Ct1827

Structural Information

Molecular Formula
C24H45N3O3
SMILES
CCCCCCCCNCC(CCCCCCCCCN1C(=O)C=CN(C1=O)C)O
InChI
InChI=1S/C24H45N3O3/c1-3-4-5-6-11-14-18-25-21-22(28)16-13-10-8-7-9-12-15-19-27-23(29)17-20-26(2)24(27)30/h17,20,22,25,28H,3-16,18-19,21H2,1-2H3
InChIKey
HBLFOQYXXSDOKV-UHFFFAOYSA-N
Compound name
3-[10-hydroxy-11-(octylamino)undecyl]-1-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

423.3461 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.35338 210.8
[M+Na]+ 446.33532 213.1
[M-H]- 422.33882 208.3
[M+NH4]+ 441.37992 217.7
[M+K]+ 462.30926 207.4
[M+H-H2O]+ 406.34336 200.5
[M+HCOO]- 468.34430 227.1
[M+CH3COO]- 482.35995 232.8
[M+Na-2H]- 444.32077 207.9
[M]+ 423.34555 217.9
[M]- 423.34665 217.9
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