CID 3076821

Brn 4195578

Structural Information

Molecular Formula
C10H12N4O2
SMILES
CN1C(=O)C2=C(N=CN2)N(C1=O)CC3CC3
InChI
InChI=1S/C10H12N4O2/c1-13-9(15)7-8(12-5-11-7)14(10(13)16)4-6-2-3-6/h5-6H,2-4H2,1H3,(H,11,12)
InChIKey
QJLYWEWHBDORDE-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethyl)-1-methyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.09602 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 151.5
[M+Na]+ 243.08524 166.9
[M+NH4]+ 238.12984 158.4
[M+K]+ 259.05918 164.2
[M-H]- 219.08874 158.6
[M+Na-2H]- 241.07069 159.2
[M]+ 220.09547 156.7
[M]- 220.09657 156.7
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.