CID 24844928

88799-56-8

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCC1C(=O)C(C2=COC=CN2N1)CCC3=CC=CC=C3
InChI
InChI=1S/C17H20N2O2/c1-2-15-17(20)14(9-8-13-6-4-3-5-7-13)16-12-21-11-10-19(16)18-15/h3-7,10-12,14-15,18H,2,8-9H2,1H3
InChIKey
KNNXBGSYELSNTQ-UHFFFAOYSA-N
Compound name
2-ethyl-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

284.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 168.6
[M+Na]+ 307.14169 174.9
[M-H]- 283.14519 171.8
[M+NH4]+ 302.18629 180.4
[M+K]+ 323.11563 170.3
[M+H-H2O]+ 267.14973 158.9
[M+HCOO]- 329.15067 182.8
[M+CH3COO]- 343.16632 178.2
[M+Na-2H]- 305.12714 173.0
[M]+ 284.15192 166.1
[M]- 284.15302 166.1
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.