CID 673107

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(cyclopropyl)methanone

Structural Information

Molecular Formula

C₁₅H₁₆N₂OS

SMILES

C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)C4CC4)N

InChI

InChI=1S/C15H16N2OS/c16-12-10-7-9-3-1-2-4-11(9)17-15(10)19-14(12)13(18)8-5-6-8/h7-8H,1-6,16H2

InChIKey

FFHDCDJDWAPFDL-UHFFFAOYSA-N

Compound name

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-cyclopropylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.09833 Da
Monoisotopic Mass: 3.8
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]+	273.105606	155.4
[M+Na]+	295.087548	165.9
[M-H]-	271.091054	162.6
[M+NH4]+	290.132153	169.7
[M+K]+	311.061488	159.7
[M+H-H2O]+	255.095590	149.3
[M+HCOO]-	317.096531	170.9
[M+CH3COO]-	331.112181	167.1
[M+Na-2H]-	293.072996	157.6
[M]+	272.09778142	158.2
[M]-	272.09887858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.