CID 3048650

63917-34-0

Structural Information

Molecular Formula
C11H17N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)OCCN(C)C
InChI
InChI=1S/C11H17N5O3/c1-14(2)5-6-19-10-12-7-8(13-10)15(3)11(18)16(4)9(7)17/h5-6H2,1-4H3,(H,12,13)
InChIKey
XOSWRYKBZNZLEE-UHFFFAOYSA-N
Compound name
8-[2-(dimethylamino)ethoxy]-1,3-dimethyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14043 159.2
[M+Na]+ 290.12237 171.7
[M-H]- 266.12587 160.3
[M+NH4]+ 285.16697 173.9
[M+K]+ 306.09631 168.6
[M+H-H2O]+ 250.13041 150.8
[M+HCOO]- 312.13135 180.6
[M+CH3COO]- 326.14700 202.1
[M+Na-2H]- 288.10782 163.4
[M]+ 267.13260 166.2
[M]- 267.13370 166.2
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.