CID 5209

Mukoenine a

Structural Information

Molecular Formula

C₁₈H₁₉NO

SMILES

CC1=CC2=C(C(=C1O)CC=C(C)C)NC3=CC=CC=C32

InChI

InChI=1S/C18H19NO/c1-11(2)8-9-14-17-15(10-12(3)18(14)20)13-6-4-5-7-16(13)19-17/h4-8,10,19-20H,9H2,1-3H3

InChIKey

PURITTXNCHNYEP-UHFFFAOYSA-N

Compound name

3-methyl-1-(3-methylbut-2-enyl)-9H-carbazol-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 92
Patents: 265.14667 Da
Monoisotopic Mass: 5.3
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]+	266.15395	163.6
[M+Na]+	288.13589	173.8
[M-H]-	264.13939	166.0
[M+NH4]+	283.18049	182.4
[M+K]+	304.10983	166.7
[M+H-H2O]+	248.14393	157.5
[M+HCOO]-	310.14487	182.1
[M+CH3COO]-	324.16052	175.4
[M+Na-2H]-	286.12134	166.5
[M]+	265.14612	164.9
[M]-	265.14722	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe