CID 75480909

3-(3-chloro-4-methoxybenzoyl)-4h,5h,6h-cyclopenta[b]thiophen-2-amine

Structural Information

Molecular Formula

C₁₅H₁₄ClNO₂S

SMILES

COC1=C(C=C(C=C1)C(=O)C2=C(SC3=C2CCC3)N)Cl

InChI

InChI=1S/C15H14ClNO2S/c1-19-11-6-5-8(7-10(11)16)14(18)13-9-3-2-4-12(9)20-15(13)17/h5-7H,2-4,17H2,1H3

InChIKey

UGHPIUZOUSCBJA-UHFFFAOYSA-N

Compound name

(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3-chloro-4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.04337 Da
Monoisotopic Mass: 4.4
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]+	308.050646	171.4
[M+Na]+	330.032588	181.7
[M-H]-	306.036094	179.9
[M+NH4]+	325.077193	192.5
[M+K]+	346.006528	176.0
[M+H-H2O]+	290.040630	167.2
[M+HCOO]-	352.041571	185.9
[M+CH3COO]-	366.057221	184.0
[M+Na-2H]-	328.018036	168.6
[M]+	307.04282142	176.3
[M]-	307.04391858	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.