CID 206147

Dibenzo(a,e)cycloheptatrien-5-one, 1-(dimethylamino)methyl-2-methoxy-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₁₉NO₂

SMILES

CN(C)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C19H19NO2/c1-20(2)12-17-15-9-8-13-6-4-5-7-14(13)19(21)16(15)10-11-18(17)22-3/h4-11H,12H2,1-3H3

InChIKey

QDHOMERKHHESIO-UHFFFAOYSA-N

Compound name

7-[(dimethylamino)methyl]-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.14157 Da
Monoisotopic Mass: 3.7
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]+	294.148846	166.1
[M+Na]+	316.130788	174.8
[M-H]-	292.134294	174.9
[M+NH4]+	311.175393	183.8
[M+K]+	332.104728	175.9
[M+H-H2O]+	276.138830	160.8
[M+HCOO]-	338.139771	189.8
[M+CH3COO]-	352.155421	212.3
[M+Na-2H]-	314.116236	172.6
[M]+	293.14102142	169.4
[M]-	293.14211858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.