CID 6862776

612047-90-2

Structural Information

Molecular Formula

C₂₀H₂₁N₃O₂

SMILES

C1CCC2=C(C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=CC=CO4

InChI

InChI=1S/C20H21N3O2/c24-20(22-21-14-15-6-5-13-25-15)11-12-23-18-9-3-1-7-16(18)17-8-2-4-10-19(17)23/h1,3,5-7,9,13-14H,2,4,8,10-12H2,(H,22,24)/b21-14+

InChIKey

FXXQMJXQESCTGB-KGENOOAVSA-N

Compound name

N-[(E)-furan-2-ylmethylideneamino]-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.1634 Da
Monoisotopic Mass: 3.4
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]+	336.170676	177.4
[M+Na]+	358.152618	183.5
[M-H]-	334.156124	186.3
[M+NH4]+	353.197223	193.6
[M+K]+	374.126558	179.7
[M+H-H2O]+	318.160660	168.9
[M+HCOO]-	380.161601	200.5
[M+CH3COO]-	394.177251	188.5
[M+Na-2H]-	356.138066	181.2
[M]+	335.16285142	179.3
[M]-	335.16394858	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.