CID 32408

24464-18-4

Structural Information

Molecular Formula

C₁₆H₁₇N

SMILES

CN1CCC2=C(C1)C=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C16H17N/c1-17-11-10-16-14(12-17)8-5-9-15(16)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3

InChIKey

GRTWSHLGXBMSFT-UHFFFAOYSA-N

Compound name

2-methyl-5-phenyl-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.1361 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]+	224.14338	150.8
[M+Na]+	246.12532	157.9
[M-H]-	222.12882	156.5
[M+NH4]+	241.16992	168.6
[M+K]+	262.09926	152.9
[M+H-H2O]+	206.13336	142.3
[M+HCOO]-	268.13430	170.1
[M+CH3COO]-	282.14995	162.8
[M+Na-2H]-	244.11077	157.5
[M]+	223.13555	147.6
[M]-	223.13665	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe