CID 3148871

371127-17-2

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CC(=C)CN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C14H19N5O2/c1-6-7-15-13-16-11-10(19(13)8-9(2)3)12(20)18(5)14(21)17(11)4/h6H,1-2,7-8H2,3-5H3,(H,15,16)
InChIKey
UMWSJGYWIBHCJG-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-(prop-2-enylamino)purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

289.15387 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16115 168.4
[M+Na]+ 312.14309 180.9
[M+NH4]+ 307.18769 172.4
[M+K]+ 328.11703 177.4
[M-H]- 288.14659 167.0
[M+Na-2H]- 310.12854 170.8
[M]+ 289.15332 169.4
[M]- 289.15442 169.4
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

No patent data available for this compound.