CID 263061

Gpaawnjdoizwqd-uhfffaoysa-n

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

49
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

literature stripe

Patent stripe

patents stripe