CID 629478

2-methyl-3,4,5-triphenyl-2,4-cyclopentadienone

Structural Information

Molecular Formula
C24H18O
SMILES
CC1=C(C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18O/c1-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)23(24(17)25)20-15-9-4-10-16-20/h2-16H,1H3
InChIKey
MNEIVNVOIYFTCU-UHFFFAOYSA-N
Compound name
2-methyl-3,4,5-triphenylcyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.13577 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14305 177.9
[M+Na]+ 345.12499 186.7
[M-H]- 321.12849 191.3
[M+NH4]+ 340.16959 193.4
[M+K]+ 361.09893 179.5
[M+H-H2O]+ 305.13303 168.6
[M+HCOO]- 367.13397 202.5
[M+CH3COO]- 381.14962 190.2
[M+Na-2H]- 343.11044 179.4
[M]+ 322.13522 178.1
[M]- 322.13632 178.1
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