CID 38437

40285-10-7

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CCCN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC

InChI

InChI=1S/C21H25NO2/c1-4-10-22-11-9-15-13-18(23-2)21(24-3)20-16-8-6-5-7-14(16)12-17(22)19(15)20/h5-8,13,17H,4,9-12H2,1-3H3

InChIKey

VYOSYAAPYZTTTO-UHFFFAOYSA-N

Compound name

1,2-dimethoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 323.18854 Da
Monoisotopic Mass: 4.3
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]+	324.19582	179.5
[M+Na]+	346.17776	186.6
[M-H]-	322.18126	182.8
[M+NH4]+	341.22236	195.9
[M+K]+	362.15170	181.4
[M+H-H2O]+	306.18580	170.0
[M+HCOO]-	368.18674	193.6
[M+CH3COO]-	382.20239	189.2
[M+Na-2H]-	344.16321	184.0
[M]+	323.18799	182.0
[M]-	323.18909	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe