CID 3040634

Brn 5056149

Structural Information

Molecular Formula
C22H14O2
SMILES
C1=CC=C(C=C1)C(=O)C#CC#CCOC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C22H14O2/c23-22(19-10-3-1-4-11-19)13-5-2-8-16-24-21-15-14-18-9-6-7-12-20(18)17-21/h1,3-4,6-7,9-12,14-15,17H,16H2
InChIKey
DCXRVOVABLLZNE-UHFFFAOYSA-N
Compound name
6-naphthalen-2-yloxy-1-phenylhexa-2,4-diyn-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.09937 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10665 187.6
[M+Na]+ 333.08859 198.6
[M-H]- 309.09209 190.2
[M+NH4]+ 328.13319 197.1
[M+K]+ 349.06253 186.8
[M+H-H2O]+ 293.09663 171.7
[M+HCOO]- 355.09757 195.3
[M+CH3COO]- 369.11322 192.6
[M+Na-2H]- 331.07404 187.3
[M]+ 310.09882 178.9
[M]- 310.09992 178.9
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.