CID 331891

Nsc327165

Structural Information

Molecular Formula
C9H11N5O2
SMILES
CCN1C2=C(C(=O)N(C1=O)CC)N=CN=N2
InChI
InChI=1S/C9H11N5O2/c1-3-13-7-6(10-5-11-12-7)8(15)14(4-2)9(13)16/h5H,3-4H2,1-2H3
InChIKey
CEAWXJRBTFNXLU-UHFFFAOYSA-N
Compound name
6,8-diethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09128 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.09856 150.0
[M+Na]+ 244.08050 163.1
[M-H]- 220.08400 148.8
[M+NH4]+ 239.12510 163.2
[M+K]+ 260.05444 158.8
[M+H-H2O]+ 204.08854 140.7
[M+HCOO]- 266.08948 168.1
[M+CH3COO]- 280.10513 190.4
[M+Na-2H]- 242.06595 158.0
[M]+ 221.09073 154.0
[M]- 221.09183 154.0
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.