CID 66990178

Schembl1315961

Structural Information

Molecular Formula
C20H32N6O4
SMILES
CCCCCCCC(C1=C(N(C(=O)N(C1=O)C)C)N)C2=C(N(C(=O)N(C2=O)C)C)N
InChI
InChI=1S/C20H32N6O4/c1-6-7-8-9-10-11-12(13-15(21)23(2)19(29)25(4)17(13)27)14-16(22)24(3)20(30)26(5)18(14)28/h12H,6-11,21-22H2,1-5H3
InChIKey
OBVUNBOAQKBVHJ-UHFFFAOYSA-N
Compound name
6-amino-5-[1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octyl]-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

420.2485 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.25578 207.2
[M+Na]+ 443.23772 218.5
[M-H]- 419.24122 209.8
[M+NH4]+ 438.28232 212.6
[M+K]+ 459.21166 212.5
[M+H-H2O]+ 403.24576 196.8
[M+HCOO]- 465.24670 224.9
[M+CH3COO]- 479.26235 239.7
[M+Na-2H]- 441.22317 202.6
[M]+ 420.24795 213.1
[M]- 420.24905 213.1
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

No patent data available for this compound.