CID 5351747

Stilbamidine

Structural Information

Molecular Formula

C₁₆H₁₆N₄

SMILES

C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=N)N)C(=N)N

InChI

InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+

InChIKey

MMURVNDSFNJHAM-OWOJBTEDSA-N

Compound name

4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 164
References: 1377
Patents: 264.13748 Da
Monoisotopic Mass: 2.1
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]+	265.14476	162.4
[M+Na]+	287.12670	167.1
[M-H]-	263.13020	168.1
[M+NH4]+	282.17130	176.9
[M+K]+	303.10064	161.4
[M+H-H2O]+	247.13474	154.1
[M+HCOO]-	309.13568	187.5
[M+CH3COO]-	323.15133	208.2
[M+Na-2H]-	285.11215	165.0
[M]+	264.13693	154.9
[M]-	264.13803	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe