CID 56843235

88799-47-7

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1C(=O)C(C2=COC=CN2N1)CCC3=CC=CC=C3
InChI
InChI=1S/C15H16N2O2/c18-15-10-16-17-8-9-19-11-14(17)13(15)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,13,16H,6-7,10H2
InChIKey
IPUPPTQKMAHAFJ-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)-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

256.1212 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 159.7
[M+Na]+ 279.11042 174.0
[M+NH4]+ 274.15502 167.8
[M+K]+ 295.08436 166.4
[M-H]- 255.11392 164.4
[M+Na-2H]- 277.09587 166.4
[M]+ 256.12065 163.1
[M]- 256.12175 163.1
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.