CID 86226794

Isosalviamine b

Structural Information

Molecular Formula

C₂₀H₁₅NO₂

SMILES

CC1=C2C=CC3=C(C2=CC=C1)C4=C(C5=C3OC=C5C)OC(=N4)C

InChI

InChI=1S/C20H15NO2/c1-10-5-4-6-14-13(10)7-8-15-17(14)18-20(23-12(3)21-18)16-11(2)9-22-19(15)16/h4-9H,1-3H3

InChIKey

IVRVVMSJCWUYKG-UHFFFAOYSA-N

Compound name

5,9,17-trimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13,15,17,19-nonaene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 301.1103 Da
Monoisotopic Mass: 5.8
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]+	302.117576	169.3
[M+Na]+	324.099518	185.7
[M-H]-	300.103024	179.6
[M+NH4]+	319.144123	189.5
[M+K]+	340.073458	181.4
[M+H-H2O]+	284.107560	163.5
[M+HCOO]-	346.108501	191.9
[M+CH3COO]-	360.124151	184.5
[M+Na-2H]-	322.084966	176.1
[M]+	301.10975142	180.6
[M]-	301.11084858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.