CID 3071597

137881-81-3

Structural Information

Molecular Formula
C14H22N6O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCCN(C3=N2)CCN(C)C
InChI
InChI=1S/C14H22N6O2/c1-16(2)8-9-19-6-5-7-20-10-11(15-13(19)20)17(3)14(22)18(4)12(10)21/h5-9H2,1-4H3
InChIKey
YSWYEPOMKXOCGK-UHFFFAOYSA-N
Compound name
9-[2-(dimethylamino)ethyl]-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.18042 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18770 174.8
[M+Na]+ 329.16964 186.7
[M-H]- 305.17314 176.1
[M+NH4]+ 324.21424 188.1
[M+K]+ 345.14358 182.4
[M+H-H2O]+ 289.17768 165.1
[M+HCOO]- 351.17862 191.8
[M+CH3COO]- 365.19427 213.9
[M+Na-2H]- 327.15509 177.6
[M]+ 306.17987 180.0
[M]- 306.18097 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.