CID 64287

2,4-damp

Structural Information

Molecular Formula
C15H22N4
SMILES
CC1=C(C(=NC(=N1)N)N)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C15H22N4/c1-8-12(13(16)19-14(17)18-8)15-5-9-2-10(6-15)4-11(3-9)7-15/h9-11H,2-7H2,1H3,(H4,16,17,18,19)
InChIKey
XOMGENVDQWACIS-UHFFFAOYSA-N
Compound name
5-(1-adamantyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

6
Patents

258.18445 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19173 160.7
[M+Na]+ 281.17367 164.5
[M-H]- 257.17717 156.1
[M+NH4]+ 276.21827 181.3
[M+K]+ 297.14761 160.0
[M+H-H2O]+ 241.18171 151.8
[M+HCOO]- 303.18265 166.9
[M+CH3COO]- 317.19830 168.1
[M+Na-2H]- 279.15912 170.3
[M]+ 258.18390 158.1
[M]- 258.18500 158.1
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.