CID 3048965

Brn 1122380

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CCN1CC2=C(NC1)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C10H16N4O2/c1-4-14-5-7-8(11-6-14)12(2)10(16)13(3)9(7)15/h11H,4-6H2,1-3H3
InChIKey
SIWBKKAOHLDGOG-UHFFFAOYSA-N
Compound name
6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 152.8
[M+Na]+ 247.11654 164.0
[M-H]- 223.12004 151.2
[M+NH4]+ 242.16114 166.9
[M+K]+ 263.09048 159.4
[M+H-H2O]+ 207.12458 144.6
[M+HCOO]- 269.12552 167.7
[M+CH3COO]- 283.14117 189.8
[M+Na-2H]- 245.10199 157.2
[M]+ 224.12677 152.6
[M]- 224.12787 152.6
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.