CID 788458

8-(dimethylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC=C
InChI
InChI=1S/C12H17N5O2/c1-6-7-17-8-9(13-11(17)14(2)3)15(4)12(19)16(5)10(8)18/h6H,1,7H2,2-5H3
InChIKey
HIXPZRYFBCMKCV-UHFFFAOYSA-N
Compound name
8-(dimethylamino)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1382 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 159.3
[M+Na]+ 286.12742 173.2
[M-H]- 262.13092 162.0
[M+NH4]+ 281.17202 175.2
[M+K]+ 302.10136 169.5
[M+H-H2O]+ 246.13546 151.1
[M+HCOO]- 308.13640 181.9
[M+CH3COO]- 322.15205 205.8
[M+Na-2H]- 284.11287 162.6
[M]+ 263.13765 166.9
[M]- 263.13875 166.9
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.