CID 52965

74192-77-1

Structural Information

Molecular Formula

C₁₇H₁₉NO

SMILES

CN1CCC2=C(C1)C(=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H19NO/c1-18-10-9-13-5-4-8-16(17(13)12-18)14-6-3-7-15(11-14)19-2/h3-8,11H,9-10,12H2,1-2H3

InChIKey

CPMCGOWJYMTXDK-UHFFFAOYSA-N

Compound name

8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 253.14667 Da
Monoisotopic Mass: 3.4
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]+	254.153946	159.2
[M+Na]+	276.135888	166.5
[M-H]-	252.139394	165.0
[M+NH4]+	271.180493	175.9
[M+K]+	292.109828	161.9
[M+H-H2O]+	236.143930	150.4
[M+HCOO]-	298.144871	178.2
[M+CH3COO]-	312.160521	170.8
[M+Na-2H]-	274.121336	164.5
[M]+	253.14612142	158.1
[M]-	253.14721858	158.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe