CID 343617

7464-70-2

Structural Information

Molecular Formula

C₈H₉N₅O₂

SMILES

CN1C2=NC(=CN=C2C(=O)N(C1=O)C)N

InChI

InChI=1S/C8H9N5O2/c1-12-6-5(10-3-4(9)11-6)7(14)13(2)8(12)15/h3H,1-2H3,(H2,9,11)

InChIKey

TUPLIFXHFVJPEC-UHFFFAOYSA-N

Compound name

7-amino-1,3-dimethylpteridine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 207.07562 Da
Monoisotopic Mass: -1.0
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]+	208.08290	145.1
[M+Na]+	230.06484	158.8
[M-H]-	206.06834	145.6
[M+NH4]+	225.10944	160.1
[M+K]+	246.03878	154.6
[M+H-H2O]+	190.07288	136.8
[M+HCOO]-	252.07382	165.5
[M+CH3COO]-	266.08947	190.0
[M+Na-2H]-	228.05029	152.5
[M]+	207.07507	147.2
[M]-	207.07617	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe