CID 579159

1,3-diethyl-7-methyl-1h-purine-2,6(3h,7h)-dione

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)N=CN2C
InChI
InChI=1S/C10H14N4O2/c1-4-13-8-7(11-6-12(8)3)9(15)14(5-2)10(13)16/h6H,4-5H2,1-3H3
InChIKey
YOVVPTCKECUXSH-UHFFFAOYSA-N
Compound name
1,3-diethyl-9-methylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.118956 147.6
[M+Na]+ 245.100898 162.1
[M-H]- 221.104404 148.6
[M+NH4]+ 240.145503 164.7
[M+K]+ 261.074838 158.1
[M+H-H2O]+ 205.108940 139.8
[M+HCOO]- 267.109881 169.2
[M+CH3COO]- 281.125531 191.1
[M+Na-2H]- 243.086346 152.7
[M]+ 222.11113142 154.2
[M]- 222.11222858 154.2
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.