CID 5342786

Schembl17913903

Structural Information

Molecular Formula

C₁₆H₁₃FN₄OS

SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3N2)F

InChI

InChI=1S/C16H13FN4OS/c17-12-6-2-1-5-11(12)9-18-21-15(22)10-23-16-19-13-7-3-4-8-14(13)20-16/h1-9H,10H2,(H,19,20)(H,21,22)/b18-9+

InChIKey

PLVXIDZDZRBSAH-GIJQJNRQSA-N

Compound name

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.0794 Da
Monoisotopic Mass: 3.4
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]+	329.086676	170.7
[M+Na]+	351.068618	179.9
[M-H]-	327.072124	175.0
[M+NH4]+	346.113223	184.9
[M+K]+	367.042558	172.9
[M+H-H2O]+	311.076660	161.2
[M+HCOO]-	373.077601	189.5
[M+CH3COO]-	387.093251	181.5
[M+Na-2H]-	349.054066	174.9
[M]+	328.07885142	172.7
[M]-	328.07994858	172.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.