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]+ 225.134596 152.8
[M+Na]+ 247.116538 164.0
[M-H]- 223.120044 151.2
[M+NH4]+ 242.161143 166.9
[M+K]+ 263.090478 159.4
[M+H-H2O]+ 207.124580 144.6
[M+HCOO]- 269.125521 167.7
[M+CH3COO]- 283.141171 189.8
[M+Na-2H]- 245.101986 157.2
[M]+ 224.12677142 152.6
[M]- 224.12786858 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.