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 162.0
[M+Na]+ 285.12499 169.2
[M-H]- 261.12849 168.5
[M+NH4]+ 280.16959 178.7
[M+K]+ 301.09893 163.3
[M+H-H2O]+ 245.13303 154.5
[M+HCOO]- 307.13397 184.6
[M+CH3COO]- 321.14962 198.4
[M+Na-2H]- 283.11044 164.8
[M]+ 262.13522 162.2
[M]- 262.13632 162.2
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