CID 3456218

1,5-bis(3-methylphenyl)-1,4-pentadien-3-one

Structural Information

Molecular Formula
C19H18O
SMILES
CC1=CC(=CC=C1)C=CC(=O)C=CC2=CC=CC(=C2)C
InChI
InChI=1S/C19H18O/c1-15-5-3-7-17(13-15)9-11-19(20)12-10-18-8-4-6-16(2)14-18/h3-14H,1-2H3
InChIKey
KLSUMXUEVAJVLW-UHFFFAOYSA-N
Compound name
1,5-bis(3-methylphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

262.13577 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14305 163.8
[M+Na]+ 285.12499 179.0
[M+NH4]+ 280.16959 172.3
[M+K]+ 301.09893 169.5
[M-H]- 261.12849 168.6
[M+Na-2H]- 283.11044 172.8
[M]+ 262.13522 167.5
[M]- 262.13632 167.5
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