CID 1676

Enprofylline

Structural Information

Molecular Formula
C8H10N4O2
SMILES
CCCN1C2=C(C(=O)NC1=O)NC=N2
InChI
InChI=1S/C8H10N4O2/c1-2-3-12-6-5(9-4-10-6)7(13)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,13,14)
InChIKey
SIQPXVQCUCHWDI-UHFFFAOYSA-N
Compound name
3-propyl-7H-purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

240
References

2209
Patents

194.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.087646 139.8
[M+Na]+ 217.069588 152.5
[M-H]- 193.073094 137.8
[M+NH4]+ 212.114193 156.1
[M+K]+ 233.043528 147.4
[M+H-H2O]+ 177.077630 132.3
[M+HCOO]- 239.078571 159.2
[M+CH3COO]- 253.094221 177.8
[M+Na-2H]- 215.055036 146.6
[M]+ 194.07982142 141.3
[M]- 194.08091858 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe