CID 51060089

269075-67-4

Structural Information

Molecular Formula
C22H17NO3
SMILES
COC1=CC=CC(=C1OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C22H17NO3/c1-25-21-9-5-8-19(14-23)22(21)26-15-20(24)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13H,15H2,1H3
InChIKey
XTORCMMYYNVGII-UHFFFAOYSA-N
Compound name
3-methoxy-2-[2-oxo-2-(4-phenylphenyl)ethoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.12085 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12813 187.2
[M+Na]+ 366.11007 196.7
[M-H]- 342.11357 194.4
[M+NH4]+ 361.15467 198.2
[M+K]+ 382.08401 189.3
[M+H-H2O]+ 326.11811 171.2
[M+HCOO]- 388.11905 205.8
[M+CH3COO]- 402.13470 221.6
[M+Na-2H]- 364.09552 188.7
[M]+ 343.12030 184.3
[M]- 343.12140 184.3
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.