CID 3041226

Brn 0652640

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CCN1C2=C(CCN2)C(=O)N(C1=O)CC
InChI
InChI=1S/C10H15N3O2/c1-3-12-8-7(5-6-11-8)9(14)13(4-2)10(12)15/h11H,3-6H2,1-2H3
InChIKey
FAMZQKYVSLBCLW-UHFFFAOYSA-N
Compound name
1,3-diethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 145.7
[M+Na]+ 232.105638 156.8
[M-H]- 208.109144 145.7
[M+NH4]+ 227.150243 163.6
[M+K]+ 248.079578 152.7
[M+H-H2O]+ 192.113680 138.7
[M+HCOO]- 254.114621 164.4
[M+CH3COO]- 268.130271 185.0
[M+Na-2H]- 230.091086 149.4
[M]+ 209.11587142 146.8
[M]- 209.11696858 146.8
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.