CID 3007722

Chemdivam_000730

Structural Information

Molecular Formula

C₂₀H₂₁NO₂

SMILES

CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=C(C=C4)OC)C)C

InChI

InChI=1S/C20H21NO2/c1-19(2)16-7-5-6-8-17(16)21(3)20(19)12-11-14-9-10-15(22-4)13-18(14)23-20/h5-13H,1-4H3

InChIKey

JZRSBOQDYDZQKK-UHFFFAOYSA-N

Compound name

7-methoxy-1',3',3'-trimethylspiro[chromene-2,2'-indole]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 307.15723 Da
Monoisotopic Mass: 4.9
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]+	308.16451	172.9
[M+Na]+	330.14645	184.2
[M-H]-	306.14995	180.6
[M+NH4]+	325.19105	193.9
[M+K]+	346.12039	180.0
[M+H-H2O]+	290.15449	164.6
[M+HCOO]-	352.15543	190.7
[M+CH3COO]-	366.17108	185.4
[M+Na-2H]-	328.13190	179.0
[M]+	307.15668	176.3
[M]-	307.15778	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe