CID 892769

Aldehyde resin

Structural Information

Molecular Formula

C₁₈H₁₆N₂O₂

SMILES

C1=CC=C(C=C1)CNC(=O)CN2C=C(C3=CC=CC=C32)C=O

InChI

InChI=1S/C18H16N2O2/c21-13-15-11-20(17-9-5-4-8-16(15)17)12-18(22)19-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,19,22)

InChIKey

RCHKEJKUUXXBSM-UHFFFAOYSA-N

Compound name

N-benzyl-2-(3-formylindol-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 6934
Patents: 292.1212 Da
Monoisotopic Mass: 2.4
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]+	293.12848	168.1
[M+Na]+	315.11042	182.1
[M+NH4]+	310.15502	176.0
[M+K]+	331.08436	175.7
[M-H]-	291.11392	172.3
[M+Na-2H]-	313.09587	176.5
[M]+	292.12065	171.3
[M]-	292.12175	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe