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

literature stripe

Patent stripe

patents stripe