CID 118827194

92855-55-5

Structural Information

Molecular Formula

C₁₆H₁₃NO₂

SMILES

CC(=O)C1=CC2=C(C=C1)N(C3=CC=CC=C32)C(=O)C

InChI

InChI=1S/C16H13NO2/c1-10(18)12-7-8-16-14(9-12)13-5-3-4-6-15(13)17(16)11(2)19/h3-9H,1-2H3

InChIKey

XNRGRDNWHZWEOT-UHFFFAOYSA-N

Compound name

1-(9-acetylcarbazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.09464 Da
Monoisotopic Mass: 2.9
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]+	252.10192	155.8
[M+Na]+	274.08386	166.5
[M-H]-	250.08736	161.0
[M+NH4]+	269.12846	175.9
[M+K]+	290.05780	162.2
[M+H-H2O]+	234.09190	149.2
[M+HCOO]-	296.09284	177.3
[M+CH3COO]-	310.10849	196.7
[M+Na-2H]-	272.06931	160.2
[M]+	251.09409	159.7
[M]-	251.09519	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe