CID 134446

2,4-dibenzyl-3-pentanone

Structural Information

Molecular Formula
C19H22O
SMILES
CC(CC1=CC=CC=C1)C(=O)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C19H22O/c1-15(13-17-9-5-3-6-10-17)19(20)16(2)14-18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKey
RWZWFHRQQFEXTQ-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1,5-diphenylpentan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

266.16705 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17433 165.7
[M+Na]+ 289.15627 169.5
[M-H]- 265.15977 171.3
[M+NH4]+ 284.20087 181.4
[M+K]+ 305.13021 165.8
[M+H-H2O]+ 249.16431 157.7
[M+HCOO]- 311.16525 185.8
[M+CH3COO]- 325.18090 200.8
[M+Na-2H]- 287.14172 167.4
[M]+ 266.16650 165.3
[M]- 266.16760 165.3
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