CID 5466802

Nsc643134

Structural Information

Molecular Formula
C22H15NO
SMILES
C1=CC=C(C=C1)/C(=C\C2=CC=C(C=C2)C#N)/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H15NO/c23-16-18-13-11-17(12-14-18)15-21(19-7-3-1-4-8-19)22(24)20-9-5-2-6-10-20/h1-15H/b21-15+
InChIKey
QVERZGUSXAQUEQ-RCCKNPSSSA-N
Compound name
4-[(E)-3-oxo-2,3-diphenylprop-1-enyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11536 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12264 183.8
[M+Na]+ 332.10458 192.2
[M-H]- 308.10808 190.4
[M+NH4]+ 327.14918 195.5
[M+K]+ 348.07852 182.8
[M+H-H2O]+ 292.11262 168.1
[M+HCOO]- 354.11356 201.3
[M+CH3COO]- 368.12921 192.3
[M+Na-2H]- 330.09003 185.3
[M]+ 309.11481 176.4
[M]- 309.11591 176.4
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.