CID 3020653

85391-70-4

Structural Information

Molecular Formula
C22H22O
SMILES
CC1=CC=CC=C1C=C2CCCC(=CC3=CC=CC=C3C)C2=O
InChI
InChI=1S/C22H22O/c1-16-8-3-5-10-18(16)14-20-12-7-13-21(22(20)23)15-19-11-6-4-9-17(19)2/h3-6,8-11,14-15H,7,12-13H2,1-2H3
InChIKey
UTIHSBHVGKPGEM-UHFFFAOYSA-N
Compound name
2,6-bis[(2-methylphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.16705 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17433 173.3
[M+Na]+ 325.15627 179.5
[M-H]- 301.15977 182.4
[M+NH4]+ 320.20087 188.2
[M+K]+ 341.13021 172.5
[M+H-H2O]+ 285.16431 164.5
[M+HCOO]- 347.16525 192.8
[M+CH3COO]- 361.18090 205.9
[M+Na-2H]- 323.14172 173.6
[M]+ 302.16650 168.9
[M]- 302.16760 168.9
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