CID 394848

Nsc698807

Structural Information

Molecular Formula

C₂₂H₂₀N₂O₂

SMILES

CC(=CCC1(C(=O)C2=CC=CN2C3=C(O1)C=CC=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H20N2O2/c1-16(2)12-13-22(17-8-4-3-5-9-17)20(25)18-10-7-15-24(18)21-19(26-22)11-6-14-23-21/h3-12,14-15H,13H2,1-2H3

InChIKey

WROSRQWLSKJVPB-UHFFFAOYSA-N

Compound name

8-(3-methylbut-2-enyl)-8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.15247 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.159746	184.1
[M+Na]+	367.141688	192.3
[M-H]-	343.145194	191.9
[M+NH4]+	362.186293	198.2
[M+K]+	383.115628	190.0
[M+H-H2O]+	327.149730	175.3
[M+HCOO]-	389.150671	200.4
[M+CH3COO]-	403.166321	194.2
[M+Na-2H]-	365.127136	187.4
[M]+	344.15192142	183.3
[M]-	344.15301858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.