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

18
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

literature stripe

Patent stripe

patents stripe