CID 346845

2-(p-anisyl)-3-phenylsuccinonitrile

Structural Information

Molecular Formula
C17H14N2O
SMILES
COC1=CC=C(C=C1)C(C#N)C(C#N)C2=CC=CC=C2
InChI
InChI=1S/C17H14N2O/c1-20-15-9-7-14(8-10-15)17(12-19)16(11-18)13-5-3-2-4-6-13/h2-10,16-17H,1H3
InChIKey
BROIWEJXIAKVSL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-3-phenylbutanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.11063 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 174.4
[M+Na]+ 285.099848 183.5
[M-H]- 261.103354 178.4
[M+NH4]+ 280.144453 184.7
[M+K]+ 301.073788 177.2
[M+H-H2O]+ 245.107890 158.0
[M+HCOO]- 307.108831 185.5
[M+CH3COO]- 321.124481 225.0
[M+Na-2H]- 283.085296 174.4
[M]+ 262.11008142 166.1
[M]- 262.11117858 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.