CID 419595

13931-24-3

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1C2=C(CN1)NC(=O)NC2=O

InChI

InChI=1S/C6H7N3O2/c10-5-3-1-7-2-4(3)8-6(11)9-5/h7H,1-2H2,(H2,8,9,10,11)

InChIKey

CIEMJESBAAGKOO-UHFFFAOYSA-N

Compound name

1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 153.05383 Da
Monoisotopic Mass: -2.0
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]+	154.06111	129.2
[M+Na]+	176.04305	140.3
[M+NH4]+	171.08765	135.5
[M+K]+	192.01699	137.8
[M-H]-	152.04655	127.2
[M+Na-2H]-	174.02850	132.5
[M]+	153.05328	129.7
[M]-	153.05438	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe