CID 2818306

Oprea1_423086

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₄

SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)OC)OC)OC)C#N

InChI

InChI=1S/C22H26N2O4/c1-12-14(11-23)19(20-15(24-12)9-22(2,3)10-16(20)25)13-7-17(26-4)21(28-6)18(8-13)27-5/h7-8,19,24H,9-10H2,1-6H3

InChIKey

RAYJVLGQSBDKCZ-UHFFFAOYSA-N

Compound name

2,7,7-trimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.18927 Da
Monoisotopic Mass: 3.0
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]+	383.196546	190.0
[M+Na]+	405.178488	201.4
[M-H]-	381.181994	194.2
[M+NH4]+	400.223093	202.3
[M+K]+	421.152428	194.5
[M+H-H2O]+	365.186530	176.0
[M+HCOO]-	427.187471	202.2
[M+CH3COO]-	441.203121	230.9
[M+Na-2H]-	403.163936	189.5
[M]+	382.18872142	187.9
[M]-	382.18981858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.