CID 5466859

Nsc644640

Structural Information

Molecular Formula
C24H22O
SMILES
CC1=CC(=C(C(=C1)C)C(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C
InChI
InChI=1S/C24H22O/c1-17-14-18(2)23(19(3)15-17)24(25)22(21-12-8-5-9-13-21)16-20-10-6-4-7-11-20/h4-16H,1-3H3/b22-16+
InChIKey
NBVIOTWEGHSDGM-CJLVFECKSA-N
Compound name
(E)-2,3-diphenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16705 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17433 180.1
[M+Na]+ 349.15627 186.5
[M-H]- 325.15977 189.6
[M+NH4]+ 344.20087 193.7
[M+K]+ 365.13021 180.1
[M+H-H2O]+ 309.16431 170.9
[M+HCOO]- 371.16525 200.9
[M+CH3COO]- 385.18090 212.8
[M+Na-2H]- 347.14172 180.7
[M]+ 326.16650 179.7
[M]- 326.16760 179.7
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.