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 168.1
[M+Na]+ 312.14309 181.0
[M-H]- 288.14659 169.1
[M+NH4]+ 307.18769 182.1
[M+K]+ 328.11703 175.3
[M+H-H2O]+ 272.15113 159.8
[M+HCOO]- 334.15207 188.7
[M+CH3COO]- 348.16772 208.6
[M+Na-2H]- 310.12854 169.9
[M]+ 289.15332 173.8
[M]- 289.15442 173.8
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.