CID 133294

Proksifein

Structural Information

Molecular Formula
C13H21N5O3
SMILES
CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C13H21N5O3/c1-15(2)7-6-8-21-12-14-10-9(16(12)3)11(19)18(5)13(20)17(10)4/h6-8H2,1-5H3
InChIKey
LIYPIYBPJXKPIV-UHFFFAOYSA-N
Compound name
8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

36
Patents

295.16443 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17171 167.7
[M+Na]+ 318.15365 180.6
[M-H]- 294.15715 170.2
[M+NH4]+ 313.19825 182.3
[M+K]+ 334.12759 177.9
[M+H-H2O]+ 278.16169 159.1
[M+HCOO]- 340.16263 189.9
[M+CH3COO]- 354.17828 211.7
[M+Na-2H]- 316.13910 170.6
[M]+ 295.16388 177.7
[M]- 295.16498 177.7
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