CID 122673

Awd 625

Structural Information

Molecular Formula
C26H44N8
SMILES
CCN(CC)C1=NC2=C(C(=N1)NC3CCCCC3)N=C(N=C2NC4CCCCC4)N(CC)CC
InChI
InChI=1S/C26H44N8/c1-5-33(6-2)25-29-21-22(23(31-25)27-19-15-11-9-12-16-19)30-26(34(7-3)8-4)32-24(21)28-20-17-13-10-14-18-20/h19-20H,5-18H2,1-4H3,(H,27,29,31)(H,28,30,32)
InChIKey
AQOQDBAUPSLZOM-UHFFFAOYSA-N
Compound name
4-N,8-N-dicyclohexyl-2-N,2-N,6-N,6-N-tetraethylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.3689 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.376176 216.3
[M+Na]+ 491.358118 214.5
[M-H]- 467.361624 220.9
[M+NH4]+ 486.402723 219.0
[M+K]+ 507.332058 209.7
[M+H-H2O]+ 451.366160 201.4
[M+HCOO]- 513.367101 228.5
[M+CH3COO]- 527.382751 255.0
[M+Na-2H]- 489.343566 216.9
[M]+ 468.36835142 210.5
[M]- 468.36944858 210.5
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.