CID 346845

7497-45-2

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]+ 263.11791 184.3
[M+Na]+ 285.09985 193.8
[M+NH4]+ 280.14445 185.1
[M+K]+ 301.07379 182.2
[M-H]- 261.10335 175.9
[M+Na-2H]- 283.08530 184.9
[M]+ 262.11008 182.1
[M]- 262.11118 182.1
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.