CID 64316

Daep-es

Structural Information

Molecular Formula
C16H24N4
SMILES
CCC1=C(C(=NC(=N1)N)N)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H24N4/c1-2-12-13(14(17)20-15(18)19-12)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-11H,2-8H2,1H3,(H4,17,18,19,20)
InChIKey
NWNWFKCZEKDIHU-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-6-ethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

272.2001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20738 163.3
[M+Na]+ 295.18932 173.5
[M+NH4]+ 290.23392 175.2
[M+K]+ 311.16326 163.6
[M-H]- 271.19282 163.8
[M+Na-2H]- 293.17477 161.9
[M]+ 272.19955 164.9
[M]- 272.20065 164.9
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

No patent data available for this compound.