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 158.8
[M+Na]+ 279.11042 165.1
[M-H]- 255.11392 162.0
[M+NH4]+ 274.15502 171.5
[M+K]+ 295.08436 160.9
[M+H-H2O]+ 239.11846 149.3
[M+HCOO]- 301.11940 173.7
[M+CH3COO]- 315.13505 168.9
[M+Na-2H]- 277.09587 165.1
[M]+ 256.12065 155.3
[M]- 256.12175 155.3
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.