CID 56843233

88799-46-6

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1C(=O)C(C2=COC=CN2N1)CC3=CC=CC=C3
InChI
InChI=1S/C14H14N2O2/c17-14-9-15-16-6-7-18-10-13(16)12(14)8-11-4-2-1-3-5-11/h1-7,10,12,15H,8-9H2
InChIKey
GSALFUCFOLIZCG-UHFFFAOYSA-N
Compound name
4-benzyl-2,4-dihydro-1H-pyridazino[6,1-c][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 154.3
[M+Na]+ 265.09475 161.0
[M-H]- 241.09825 157.7
[M+NH4]+ 260.13935 167.5
[M+K]+ 281.06869 157.1
[M+H-H2O]+ 225.10279 145.0
[M+HCOO]- 287.10373 169.6
[M+CH3COO]- 301.11938 164.9
[M+Na-2H]- 263.08020 161.1
[M]+ 242.10498 150.4
[M]- 242.10608 150.4
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.