CID 3039781

Brn 0988079

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC1=C2C(=NN(C(=O)C2=NO1)CCN(C)C)C
InChI
InChI=1S/C11H16N4O2/c1-7-9-8(2)17-13-10(9)11(16)15(12-7)6-5-14(3)4/h5-6H2,1-4H3
InChIKey
OYXWVQPPLODDFZ-UHFFFAOYSA-N
Compound name
6-[2-(dimethylamino)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

236.12732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 152.6
[M+Na]+ 259.11654 164.8
[M-H]- 235.12004 156.6
[M+NH4]+ 254.16114 169.3
[M+K]+ 275.09048 163.6
[M+H-H2O]+ 219.12458 144.5
[M+HCOO]- 281.12552 175.7
[M+CH3COO]- 295.14117 199.0
[M+Na-2H]- 257.10199 158.5
[M]+ 236.12677 160.5
[M]- 236.12787 160.5
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.