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]+ 273.207376 165.1
[M+Na]+ 295.189318 168.4
[M-H]- 271.192824 160.3
[M+NH4]+ 290.233923 185.0
[M+K]+ 311.163258 163.6
[M+H-H2O]+ 255.197360 155.9
[M+HCOO]- 317.198301 170.9
[M+CH3COO]- 331.213951 172.0
[M+Na-2H]- 293.174766 174.1
[M]+ 272.19955142 162.7
[M]- 272.20064858 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.