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]+ 469.37618 216.3
[M+Na]+ 491.35812 214.5
[M-H]- 467.36162 220.9
[M+NH4]+ 486.40272 219.0
[M+K]+ 507.33206 209.7
[M+H-H2O]+ 451.36616 201.4
[M+HCOO]- 513.36710 228.5
[M+CH3COO]- 527.38275 255.0
[M+Na-2H]- 489.34357 216.9
[M]+ 468.36835 210.5
[M]- 468.36945 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.