CID 776809

332099-08-8

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CCNC1=NC2=C(N1CC(=C)C)C(=O)NC(=O)N2C
InChI
InChI=1S/C12H17N5O2/c1-5-13-11-14-9-8(17(11)6-7(2)3)10(18)15-12(19)16(9)4/h2,5-6H2,1,3-4H3,(H,13,14)(H,15,18,19)
InChIKey
ILYZWZCGLPZCAN-UHFFFAOYSA-N
Compound name
8-(ethylamino)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 160.9
[M+Na]+ 286.12742 173.1
[M-H]- 262.13092 160.5
[M+NH4]+ 281.17202 175.1
[M+K]+ 302.10136 167.7
[M+H-H2O]+ 246.13546 152.9
[M+HCOO]- 308.13640 180.6
[M+CH3COO]- 322.15205 199.8
[M+Na-2H]- 284.11287 164.0
[M]+ 263.13765 164.4
[M]- 263.13875 164.4
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.