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]+ 237.134596 152.6
[M+Na]+ 259.116538 164.8
[M-H]- 235.120044 156.6
[M+NH4]+ 254.161143 169.3
[M+K]+ 275.090478 163.6
[M+H-H2O]+ 219.124580 144.5
[M+HCOO]- 281.125521 175.7
[M+CH3COO]- 295.141171 199.0
[M+Na-2H]- 257.101986 158.5
[M]+ 236.12677142 160.5
[M]- 236.12786858 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.