CID 4094027

9-benzyl-10-methylanthracene

Structural Information

Molecular Formula
C22H18
SMILES
CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CC4=CC=CC=C4
InChI
InChI=1S/C22H18/c1-16-18-11-5-7-13-20(18)22(15-17-9-3-2-4-10-17)21-14-8-6-12-19(16)21/h2-14H,15H2,1H3
InChIKey
CJLKRNNODLUJLE-UHFFFAOYSA-N
Compound name
9-benzyl-10-methylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.14084 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14812 166.8
[M+Na]+ 305.13006 187.3
[M+NH4]+ 300.17466 178.9
[M+K]+ 321.10400 174.7
[M-H]- 281.13356 175.6
[M+Na-2H]- 303.11551 179.5
[M]+ 282.14029 172.9
[M]- 282.14139 172.9
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