CID 43446598

1153515-63-9

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

CCCN1C(=O)CCC2=C1C=CC(=C2)N

InChI

InChI=1S/C12H16N2O/c1-2-7-14-11-5-4-10(13)8-9(11)3-6-12(14)15/h4-5,8H,2-3,6-7,13H2,1H3

InChIKey

WUMCZVXYJVHZQR-UHFFFAOYSA-N

Compound name

6-amino-1-propyl-3,4-dihydroquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 204.12627 Da
Monoisotopic Mass: 1.5
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]+	205.13355	145.6
[M+Na]+	227.11549	158.0
[M+NH4]+	222.16009	154.2
[M+K]+	243.08943	151.0
[M-H]-	203.11899	148.4
[M+Na-2H]-	225.10094	150.9
[M]+	204.12572	148.0
[M]-	204.12682	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe