CID 217950

39930-52-4

Structural Information

Molecular Formula

C₁₁H₁₃N₃O₂

SMILES

CN1C=CC2=C1N(C(=O)N(C2=O)C)CC=C

InChI

InChI=1S/C11H13N3O2/c1-4-6-14-9-8(5-7-12(9)2)10(15)13(3)11(14)16/h4-5,7H,1,6H2,2-3H3

InChIKey

GOVYZRGDYZGPQG-UHFFFAOYSA-N

Compound name

3,7-dimethyl-1-prop-2-enylpyrrolo[2,3-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.10077 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.108046	145.2
[M+Na]+	242.089988	159.5
[M-H]-	218.093494	147.5
[M+NH4]+	237.134593	163.7
[M+K]+	258.063928	155.0
[M+H-H2O]+	202.098030	138.1
[M+HCOO]-	264.098971	168.1
[M+CH3COO]-	278.114621	190.3
[M+Na-2H]-	240.075436	150.1
[M]+	219.10022142	151.0
[M]-	219.10131858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.