CID 3039782

Brn 0994855

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCN(CC)CCN1C(=O)C2=NOC(=C2C(=N1)C)C
InChI
InChI=1S/C13H20N4O2/c1-5-16(6-2)7-8-17-13(18)12-11(9(3)14-17)10(4)19-15-12/h5-8H2,1-4H3
InChIKey
VYHDBXQGKXAQDV-UHFFFAOYSA-N
Compound name
6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 162.0
[M+Na]+ 287.14785 173.3
[M-H]- 263.15135 165.6
[M+NH4]+ 282.19245 177.5
[M+K]+ 303.12179 171.7
[M+H-H2O]+ 247.15589 153.5
[M+HCOO]- 309.15683 184.4
[M+CH3COO]- 323.17248 205.0
[M+Na-2H]- 285.13330 166.8
[M]+ 264.15808 170.6
[M]- 264.15918 170.6
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.