CID 170555

41672-54-2

Structural Information

Molecular Formula

C₂₃H₂₁N₂O₂

SMILES

CC[N+]1=C(OC2=C1C=CC3=CC=CC=C32)C=CN(C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C23H21N2O2/c1-3-24-21-14-13-18-9-7-8-12-20(18)23(21)27-22(24)15-16-25(17(2)26)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3/q+1

InChIKey

KJARDKQXJAQLIA-UHFFFAOYSA-N

Compound name

N-[2-(3-ethylbenzo[g][1,3]benzoxazol-3-ium-2-yl)ethenyl]-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 357.1603 Da
Monoisotopic Mass: 4.8
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]+	358.167576	190.9
[M+Na]+	380.149518	198.9
[M-H]-	356.153024	200.5
[M+NH4]+	375.194123	204.6
[M+K]+	396.123458	188.8
[M+H-H2O]+	340.157560	183.9
[M+HCOO]-	402.158501	212.2
[M+CH3COO]-	416.174151	213.4
[M+Na-2H]-	378.134966	197.2
[M]+	357.15975142	194.6
[M]-	357.16084858	194.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.