CID 11964458

913186-74-0

Structural Information

Molecular Formula

C₁₅H₁₁FN₂OS₂

SMILES

CC1=C(SC(=N1)NC2=CC=C(C=C2)F)C(=O)C3=CSC=C3

InChI

InChI=1S/C15H11FN2OS2/c1-9-14(13(19)10-6-7-20-8-10)21-15(17-9)18-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18)

InChIKey

PEAMDZVDNYENPN-UHFFFAOYSA-N

Compound name

[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-thiophen-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 74
Patents: 318.0297 Da
Monoisotopic Mass: 4.7
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]+	319.036976	168.3
[M+Na]+	341.018918	180.1
[M-H]-	317.022424	177.5
[M+NH4]+	336.063523	186.2
[M+K]+	356.992858	173.7
[M+H-H2O]+	301.026960	161.2
[M+HCOO]-	363.027901	184.7
[M+CH3COO]-	377.043551	181.0
[M+Na-2H]-	339.004366	166.2
[M]+	318.02915142	172.5
[M]-	318.03024858	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe