CID 67738066

1-benzoyl-2-octadecanone

Structural Information

Molecular Formula
C25H40O2
SMILES
CCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24(26)22-25(27)23-19-16-15-17-20-23/h15-17,19-20H,2-14,18,21-22H2,1H3
InChIKey
MVJPWTFBRAZGDC-UHFFFAOYSA-N
Compound name
1-phenylnonadecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

372.30283 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.31011 200.7
[M+Na]+ 395.29205 209.9
[M+NH4]+ 390.33665 206.3
[M+K]+ 411.26599 200.4
[M-H]- 371.29555 201.6
[M+Na-2H]- 393.27750 203.4
[M]+ 372.30228 202.1
[M]- 372.30338 202.1
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

patents stripe