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 165.1
[M+Na]+ 295.18932 168.4
[M-H]- 271.19282 160.3
[M+NH4]+ 290.23392 185.0
[M+K]+ 311.16326 163.6
[M+H-H2O]+ 255.19736 155.9
[M+HCOO]- 317.19830 170.9
[M+CH3COO]- 331.21395 172.0
[M+Na-2H]- 293.17477 174.1
[M]+ 272.19955 162.7
[M]- 272.20065 162.7
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.