CID 3043223

Brn 0653695

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CCCCN1C(=O)C2=C(C=CN2)NC1=O
InChI
InChI=1S/C10H13N3O2/c1-2-3-6-13-9(14)8-7(4-5-11-8)12-10(13)15/h4-5,11H,2-3,6H2,1H3,(H,12,15)
InChIKey
OWJRKRZXCAMPBO-UHFFFAOYSA-N
Compound name
3-butyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10805 143.6
[M+Na]+ 230.08999 155.4
[M-H]- 206.09349 142.6
[M+NH4]+ 225.13459 160.7
[M+K]+ 246.06393 150.0
[M+H-H2O]+ 190.09803 136.5
[M+HCOO]- 252.09897 163.7
[M+CH3COO]- 266.11462 180.7
[M+Na-2H]- 228.07544 149.5
[M]+ 207.10022 145.3
[M]- 207.10132 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.