CID 16642529

927966-12-9

Structural Information

Molecular Formula

C₁₄H₁₄N₂OS

SMILES

C1CC2=C(C=CC(=C2)N)N(C1)C(=O)C3=CC=CS3

InChI

InChI=1S/C14H14N2OS/c15-11-5-6-12-10(9-11)3-1-7-16(12)14(17)13-4-2-8-18-13/h2,4-6,8-9H,1,3,7,15H2

InChIKey

XIMYGKBPDPDMOX-UHFFFAOYSA-N

Compound name

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.08267 Da
Monoisotopic Mass: 2.7
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]+	259.089946	156.7
[M+Na]+	281.071888	164.3
[M-H]-	257.075394	162.6
[M+NH4]+	276.116493	175.2
[M+K]+	297.045828	159.5
[M+H-H2O]+	241.079930	149.9
[M+HCOO]-	303.080871	172.5
[M+CH3COO]-	317.096521	168.4
[M+Na-2H]-	279.057336	157.7
[M]+	258.08212142	155.0
[M]-	258.08321858	155.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.