CID 3039783

Brn 1016982

Structural Information

Molecular Formula
C16H18N4O2
SMILES
CC1=C2C(=NN(C(=O)C2=NO1)CCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C16H18N4O2/c1-11-13-14(12-7-5-4-6-8-12)17-20(10-9-19(2)3)16(21)15(13)18-22-11/h4-8H,9-10H2,1-3H3
InChIKey
RNEWTTBMCHTGJQ-UHFFFAOYSA-N
Compound name
6-[2-(dimethylamino)ethyl]-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14297 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 170.0
[M+Na]+ 321.13219 181.2
[M-H]- 297.13569 176.9
[M+NH4]+ 316.17679 183.5
[M+K]+ 337.10613 178.2
[M+H-H2O]+ 281.14023 160.1
[M+HCOO]- 343.14117 192.7
[M+CH3COO]- 357.15682 182.6
[M+Na-2H]- 319.11764 175.4
[M]+ 298.14242 177.0
[M]- 298.14352 177.0
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.