CID 112502

4,6-dimethyl-2,4,6-triphenyl-1-heptene

Structural Information

Molecular Formula
C27H30
SMILES
CC(C)(CC(C)(CC(=C)C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H30/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h5-19H,1,20-21H2,2-4H3
InChIKey
OAMAKKTXAPRVDG-UHFFFAOYSA-N
Compound name
(2,4-dimethyl-4,6-diphenylhept-6-en-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

354.23474 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24202 190.4
[M+Na]+ 377.22396 193.5
[M-H]- 353.22746 198.4
[M+NH4]+ 372.26856 202.2
[M+K]+ 393.19790 186.8
[M+H-H2O]+ 337.23200 181.0
[M+HCOO]- 399.23294 207.5
[M+CH3COO]- 413.24859 217.6
[M+Na-2H]- 375.20941 194.1
[M]+ 354.23419 188.8
[M]- 354.23529 188.8
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

patents stripe