CID 5466858

Nsc644639

Structural Information

Molecular Formula
C19H20O
SMILES
CC1=CC(=C(C(=C1)C)C(=O)/C(=C/C2=CC=CC=C2)/C)C
InChI
InChI=1S/C19H20O/c1-13-10-14(2)18(15(3)11-13)19(20)16(4)12-17-8-6-5-7-9-17/h5-12H,1-4H3/b16-12+
InChIKey
UYTGLHFANVAMML-FOWTUZBSSA-N
Compound name
(E)-2-methyl-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15143 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15871 161.9
[M+Na]+ 287.14065 169.3
[M-H]- 263.14415 168.8
[M+NH4]+ 282.18525 178.8
[M+K]+ 303.11459 164.7
[M+H-H2O]+ 247.14869 154.7
[M+HCOO]- 309.14963 183.3
[M+CH3COO]- 323.16528 201.9
[M+Na-2H]- 285.12610 162.9
[M]+ 264.15088 162.7
[M]- 264.15198 162.7
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

No patent data available for this compound.