CID 101802

1,9-diphenylnona-1,3,6,8-tetraen-5-one

Structural Information

Molecular Formula
C21H18O
SMILES
C1=CC=C(C=C1)C=CC=CC(=O)C=CC=CC2=CC=CC=C2
InChI
InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H
InChIKey
RLJALOQFYHCJKG-UHFFFAOYSA-N
Compound name
1,9-diphenylnona-1,3,6,8-tetraen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

387
Patents

286.13577 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14305 170.5
[M+Na]+ 309.12499 175.6
[M-H]- 285.12849 175.8
[M+NH4]+ 304.16959 185.5
[M+K]+ 325.09893 167.9
[M+H-H2O]+ 269.13303 162.2
[M+HCOO]- 331.13397 192.8
[M+CH3COO]- 345.14962 199.3
[M+Na-2H]- 307.11044 173.5
[M]+ 286.13522 168.9
[M]- 286.13632 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe