CID 855906

4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-amine

Structural Information

Molecular Formula

C₁₄H₁₅NOS

SMILES

CC1=CC=C(C=C1)C(=O)C2=C(SC(=C2C)C)N

InChI

InChI=1S/C14H15NOS/c1-8-4-6-11(7-5-8)13(16)12-9(2)10(3)17-14(12)15/h4-7H,15H2,1-3H3

InChIKey

KNLPGBYZTLBBHO-UHFFFAOYSA-N

Compound name

(2-amino-4,5-dimethylthiophen-3-yl)-(4-methylphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 245.08743 Da
Monoisotopic Mass: 4.3
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]+	246.094706	155.0
[M+Na]+	268.076648	164.7
[M-H]-	244.080154	162.6
[M+NH4]+	263.121253	175.0
[M+K]+	284.050588	160.1
[M+H-H2O]+	228.084690	149.0
[M+HCOO]-	290.085631	174.7
[M+CH3COO]-	304.101281	196.5
[M+Na-2H]-	266.062096	153.1
[M]+	245.08688142	157.3
[M]-	245.08797858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe