CID 101429

1h-purin-6-amine, n-dodecyl-

Structural Information

Molecular Formula
C17H29N5
SMILES
CCCCCCCCCCCCNC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C17H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-15-17(20-13-19-15)22-14-21-16/h13-14H,2-12H2,1H3,(H2,18,19,20,21,22)
InChIKey
SBEOUENSMWBHFN-UHFFFAOYSA-N
Compound name
N-dodecyl-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

303.2423 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.24958 175.6
[M+Na]+ 326.23152 181.5
[M-H]- 302.23502 172.3
[M+NH4]+ 321.27612 187.2
[M+K]+ 342.20546 175.3
[M+H-H2O]+ 286.23956 165.0
[M+HCOO]- 348.24050 193.7
[M+CH3COO]- 362.25615 206.8
[M+Na-2H]- 324.21697 180.4
[M]+ 303.24175 179.1
[M]- 303.24285 179.1
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

patents stripe