CID 389362

Nsc685407

Structural Information

Molecular Formula
C16H20N6O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C(N=CN=C54)N
InChI
InChI=1S/C16H20N6O/c17-13-12-14(19-7-18-13)22(8-20-12)15(23)21-16-4-9-1-10(5-16)3-11(2-9)6-16/h7-11H,1-6H2,(H,21,23)(H2,17,18,19)
InChIKey
KMMRHEDXVKAPHE-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-6-aminopurine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.16986 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17714 160.7
[M+Na]+ 335.15908 164.6
[M-H]- 311.16258 155.3
[M+NH4]+ 330.20368 178.6
[M+K]+ 351.13302 160.1
[M+H-H2O]+ 295.16712 150.1
[M+HCOO]- 357.16806 166.1
[M+CH3COO]- 371.18371 167.5
[M+Na-2H]- 333.14453 171.7
[M]+ 312.16931 161.0
[M]- 312.17041 161.0
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.