CID 3627075

332904-70-8

Structural Information

Molecular Formula
C15H17N5O2
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2N)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C15H17N5O2/c1-9-4-6-10(7-5-9)8-20-11-12(17-14(20)16)18(2)15(22)19(3)13(11)21/h4-7H,8H2,1-3H3,(H2,16,17)
InChIKey
SDYMUKSXRNKJDH-UHFFFAOYSA-N
Compound name
8-amino-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1382 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14548 170.1
[M+Na]+ 322.12742 185.9
[M+NH4]+ 317.17202 175.8
[M+K]+ 338.10136 181.4
[M-H]- 298.13092 172.3
[M+Na-2H]- 320.11287 176.3
[M]+ 299.13765 172.9
[M]- 299.13875 172.9
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.