CID 3044167

56821-02-4

Structural Information

Molecular Formula

C₂₀H₂₂N₂

SMILES

CC1CCC(=N1)N2C3=CC=CC=C3C(C4=CC=CC=C42)(C)C

InChI

InChI=1S/C20H22N2/c1-14-12-13-19(21-14)22-17-10-6-4-8-15(17)20(2,3)16-9-5-7-11-18(16)22/h4-11,14H,12-13H2,1-3H3

InChIKey

GNXVCEUMQOTOTM-UHFFFAOYSA-N

Compound name

9,9-dimethyl-10-(2-methyl-3,4-dihydro-2H-pyrrol-5-yl)acridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 290.17828 Da
Monoisotopic Mass: 4.1
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]+	291.185556	172.3
[M+Na]+	313.167498	181.9
[M-H]-	289.171004	178.3
[M+NH4]+	308.212103	191.3
[M+K]+	329.141438	175.2
[M+H-H2O]+	273.175540	162.7
[M+HCOO]-	335.176481	189.4
[M+CH3COO]-	349.192131	183.5
[M+Na-2H]-	311.152946	175.7
[M]+	290.17773142	171.4
[M]-	290.17882858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe