CID 3038886

41957-25-9

Structural Information

Molecular Formula

C₁₇H₁₈N₂O

SMILES

CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18N2O/c1-19-11-10-15-14(12-19)8-5-9-16(15)18-17(20)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,18,20)

InChIKey

XGMDBMXEIAXDGE-UHFFFAOYSA-N

Compound name

N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.1419 Da
Monoisotopic Mass: 2.6
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]+	267.149176	161.5
[M+Na]+	289.131118	167.1
[M-H]-	265.134624	167.0
[M+NH4]+	284.175723	176.9
[M+K]+	305.105058	162.4
[M+H-H2O]+	249.139160	152.5
[M+HCOO]-	311.140101	180.9
[M+CH3COO]-	325.155751	172.2
[M+Na-2H]-	287.116566	167.0
[M]+	266.14135142	158.0
[M]-	266.14244858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe