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]+ 263.11791 174.4
[M+Na]+ 285.09985 183.5
[M-H]- 261.10335 178.4
[M+NH4]+ 280.14445 184.7
[M+K]+ 301.07379 177.2
[M+H-H2O]+ 245.10789 158.0
[M+HCOO]- 307.10883 185.5
[M+CH3COO]- 321.12448 225.0
[M+Na-2H]- 283.08530 174.4
[M]+ 262.11008 166.1
[M]- 262.11118 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.