CID 5278450

Micromeline

Structural Information

Molecular Formula

C₁₈H₁₇NO₂

SMILES

CC(=CCC1=C(C=CC2=C1C3=C(N2)C=CC(=C3)C=O)O)C

InChI

InChI=1S/C18H17NO2/c1-11(2)3-5-13-17(21)8-7-16-18(13)14-9-12(10-20)4-6-15(14)19-16/h3-4,6-10,19,21H,5H2,1-2H3

InChIKey

GCNGRDPCOLMSIC-UHFFFAOYSA-N

Compound name

6-hydroxy-5-(3-methylbut-2-enyl)-9H-carbazole-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 279.12592 Da
Monoisotopic Mass: 4.4
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]+	280.13320	165.8
[M+Na]+	302.11514	176.0
[M-H]-	278.11864	168.1
[M+NH4]+	297.15974	183.7
[M+K]+	318.08908	169.0
[M+H-H2O]+	262.12318	159.5
[M+HCOO]-	324.12412	184.6
[M+CH3COO]-	338.13977	198.1
[M+Na-2H]-	300.10059	168.7
[M]+	279.12537	167.7
[M]-	279.12647	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe