CID 2900185

88630-42-6

Structural Information

Molecular Formula

C₁₄H₂₀N₂O

SMILES

CCCCNC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H20N2O/c1-2-3-9-15-14(17)16-10-8-12-6-4-5-7-13(12)11-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)

InChIKey

MPGHTXLKWNDCHB-UHFFFAOYSA-N

Compound name

N-butyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 19
Patents: 232.15756 Da
Monoisotopic Mass: 2.3
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]+	233.16484	155.2
[M+Na]+	255.14678	166.5
[M+NH4]+	250.19138	163.6
[M+K]+	271.12072	159.1
[M-H]-	231.15028	157.8
[M+Na-2H]-	253.13223	160.5
[M]+	232.15701	157.4
[M]-	232.15811	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe