CID 102219164

Murrayacinine

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CC(=CCCC1(C=CC2=C(O1)C(=CC3=C2NC4=CC=CC=C43)C=O)C)C

InChI

InChI=1S/C23H23NO2/c1-15(2)7-6-11-23(3)12-10-18-21-19(13-16(14-25)22(18)26-23)17-8-4-5-9-20(17)24-21/h4-5,7-10,12-14,24H,6,11H2,1-3H3

InChIKey

VEZSSHVWEILOAM-UHFFFAOYSA-N

Compound name

3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 345.17288 Da
Monoisotopic Mass: 5.7
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]+	346.180156	185.8
[M+Na]+	368.162098	195.7
[M-H]-	344.165604	190.4
[M+NH4]+	363.206703	203.1
[M+K]+	384.136038	189.0
[M+H-H2O]+	328.170140	177.9
[M+HCOO]-	390.171081	201.5
[M+CH3COO]-	404.186731	196.3
[M+Na-2H]-	366.147546	189.6
[M]+	345.17233142	189.2
[M]-	345.17342858	189.2

Literature stripe

literature stripe

Patent stripe

patents stripe