CID 215964

36896-67-0

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂

SMILES

CC1=C(NC2=C1C(=O)N(C(=O)N2C)C)C

InChI

InChI=1S/C10H13N3O2/c1-5-6(2)11-8-7(5)9(14)13(4)10(15)12(8)3/h11H,1-4H3

InChIKey

GXQXJJKEJMEULF-UHFFFAOYSA-N

Compound name

1,3,5,6-tetramethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.10077 Da
Monoisotopic Mass: 0.7
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]+	208.108046	142.6
[M+Na]+	230.089988	157.6
[M-H]-	206.093494	144.2
[M+NH4]+	225.134593	161.4
[M+K]+	246.063928	153.1
[M+H-H2O]+	190.098030	136.4
[M+HCOO]-	252.098971	164.2
[M+CH3COO]-	266.114621	186.9
[M+Na-2H]-	228.075436	146.9
[M]+	207.10022142	147.4
[M]-	207.10131858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.