CID 663235

476480-90-7

Structural Information

Molecular Formula
C14H24N6O2
SMILES
CCCCN1C2=C(N=C1NCCN(C)C)N(C(=O)NC2=O)C
InChI
InChI=1S/C14H24N6O2/c1-5-6-8-20-10-11(19(4)14(22)17-12(10)21)16-13(20)15-7-9-18(2)3/h5-9H2,1-4H3,(H,15,16)(H,17,21,22)
InChIKey
XEFMMWPTSSNCKI-UHFFFAOYSA-N
Compound name
7-butyl-8-[2-(dimethylamino)ethylamino]-3-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.19608 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20336 174.0
[M+Na]+ 331.18530 184.4
[M-H]- 307.18880 174.7
[M+NH4]+ 326.22990 186.8
[M+K]+ 347.15924 180.1
[M+H-H2O]+ 291.19334 164.9
[M+HCOO]- 353.19428 195.4
[M+CH3COO]- 367.20993 214.0
[M+Na-2H]- 329.17075 177.3
[M]+ 308.19553 180.0
[M]- 308.19663 180.0
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

No patent data available for this compound.