CID 394862

Nsc698951

Structural Information

Molecular Formula
C14H19ClN4
SMILES
C1C2CC3CC1CC(C2)(C3)NC4=CC(=NC(=N4)N)Cl
InChI
InChI=1S/C14H19ClN4/c15-11-4-12(18-13(16)17-11)19-14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2,(H3,16,17,18,19)
InChIKey
CVXSFZWDGRUOFJ-UHFFFAOYSA-N
Compound name
4-N-(1-adamantyl)-6-chloropyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12982 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13710 159.4
[M+Na]+ 301.11904 163.6
[M-H]- 277.12254 154.9
[M+NH4]+ 296.16364 180.0
[M+K]+ 317.09298 158.3
[M+H-H2O]+ 261.12708 151.1
[M+HCOO]- 323.12802 162.5
[M+CH3COO]- 337.14367 166.9
[M+Na-2H]- 299.10449 170.8
[M]+ 278.12927 159.1
[M]- 278.13037 159.1
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.