CID 22347155

330792-68-2

Structural Information

Molecular Formula
C16H10N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=C(C#N)C#N)O
InChI
InChI=1S/C16H10N2O2/c17-10-13(11-18)16(19)12-6-8-15(9-7-12)20-14-4-2-1-3-5-14/h1-9,19H
InChIKey
MWTPPIZIKZHMSK-UHFFFAOYSA-N
Compound name
2-[hydroxy-(4-phenoxyphenyl)methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

262.07422 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08150 184.4
[M+Na]+ 285.06344 193.4
[M+NH4]+ 280.10804 184.5
[M+K]+ 301.03738 182.3
[M-H]- 261.06694 175.2
[M+Na-2H]- 283.04889 184.3
[M]+ 262.07367 181.8
[M]- 262.07477 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe