CID 2052

Tyrphostin 23

Structural Information

Molecular Formula

C₁₀H₆N₂O₂

SMILES

C1=CC(=C(C=C1C=C(C#N)C#N)O)O

InChI

InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H

InChIKey

VTJXFTPMFYAJJU-UHFFFAOYSA-N

Compound name

2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 166
References: 2543
Patents: 186.04292 Da
Monoisotopic Mass: 1.3
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]+	187.05020	165.8
[M+Na]+	209.03214	173.9
[M+NH4]+	204.07674	165.8
[M+K]+	225.00608	164.2
[M-H]-	185.03564	155.0
[M+Na-2H]-	207.01759	164.4
[M]+	186.04237	162.5
[M]-	186.04347	162.5

Literature stripe

literature stripe

Patent stripe

patents stripe