CID 4384445

1,2-bis(2,4,6-trimethylbenzoyl)benzene

Structural Information

Molecular Formula
C26H26O2
SMILES
CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2C(=O)C3=C(C=C(C=C3C)C)C)C
InChI
InChI=1S/C26H26O2/c1-15-11-17(3)23(18(4)12-15)25(27)21-9-7-8-10-22(21)26(28)24-19(5)13-16(2)14-20(24)6/h7-14H,1-6H3
InChIKey
QASBUHRBMUQEDW-UHFFFAOYSA-N
Compound name
[2-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

370.19327 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20055 189.3
[M+Na]+ 393.18249 198.2
[M-H]- 369.18599 200.0
[M+NH4]+ 388.22709 202.2
[M+K]+ 409.15643 192.7
[M+H-H2O]+ 353.19053 180.2
[M+HCOO]- 415.19147 209.6
[M+CH3COO]- 429.20712 226.3
[M+Na-2H]- 391.16794 186.2
[M]+ 370.19272 192.9
[M]- 370.19382 192.9
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