CID 776808

332099-06-6

Structural Information

Molecular Formula
C11H15N5O2
SMILES
CC(=C)CN1C2=C(N=C1NC)N(C(=O)NC2=O)C
InChI
InChI=1S/C11H15N5O2/c1-6(2)5-16-7-8(13-10(16)12-3)15(4)11(18)14-9(7)17/h1,5H2,2-4H3,(H,12,13)(H,14,17,18)
InChIKey
LWNJHYOPONACQL-UHFFFAOYSA-N
Compound name
3-methyl-8-(methylamino)-7-(2-methylprop-2-enyl)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.12257 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.129846 156.4
[M+Na]+ 272.111788 169.1
[M-H]- 248.115294 156.3
[M+NH4]+ 267.156393 171.2
[M+K]+ 288.085728 163.9
[M+H-H2O]+ 232.119830 148.6
[M+HCOO]- 294.120771 176.4
[M+CH3COO]- 308.136421 196.8
[M+Na-2H]- 270.097236 160.1
[M]+ 249.12202142 159.6
[M]- 249.12311858 159.6
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.