CID 3859615

88630-43-7

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CCCNC(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C13H18N2O/c1-2-8-14-13(16)15-9-7-11-5-3-4-6-12(11)10-15/h3-6H,2,7-10H2,1H3,(H,14,16)

InChIKey

JORKKSUCVHWJBE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.1419 Da
Monoisotopic Mass: 2.0
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]+	219.14918	150.7
[M+Na]+	241.13112	162.2
[M+NH4]+	236.17572	159.3
[M+K]+	257.10506	155.0
[M-H]-	217.13462	153.3
[M+Na-2H]-	239.11657	156.3
[M]+	218.14135	152.9
[M]-	218.14245	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe