CID 65709

Caroverine

Structural Information

Molecular Formula

C₂₂H₂₇N₃O₂

SMILES

CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3

InChIKey

MSPRUJDUTKRMLM-UHFFFAOYSA-N

Compound name

1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 78
References: 2323
Patents: 365.21033 Da
Monoisotopic Mass: 3.2
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]+	366.21761	191.5
[M+Na]+	388.19955	198.7
[M-H]-	364.20305	197.3
[M+NH4]+	383.24415	202.6
[M+K]+	404.17349	193.7
[M+H-H2O]+	348.20759	180.1
[M+HCOO]-	410.20853	212.0
[M+CH3COO]-	424.22418	225.0
[M+Na-2H]-	386.18500	195.1
[M]+	365.20978	196.9
[M]-	365.21088	196.9

Literature stripe

literature stripe

Patent stripe

patents stripe