CID 11515637

Fx7ef8axc3

Structural Information

Molecular Formula

C₁₁H₈N₄OS

SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)N=C(N)N)C#N

InChI

InChI=1S/C11H8N4OS/c12-5-6-2-1-3-8-7(6)4-9(17-8)10(16)15-11(13)14/h1-4H,(H4,13,14,15,16)

InChIKey

WGKIDCRTLNUROQ-UHFFFAOYSA-N

Compound name

4-cyano-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 32
Patents: 244.04189 Da
Monoisotopic Mass: 1.9
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]+	245.04917	154.2
[M+Na]+	267.03111	163.0
[M+NH4]+	262.07571	158.5
[M+K]+	283.00505	154.8
[M-H]-	243.03461	149.7
[M+Na-2H]-	265.01656	156.3
[M]+	244.04134	153.4
[M]-	244.04244	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe