CID 98995

2,4-bis(alpha-methylbenzyl)anisole

Structural Information

Molecular Formula
C23H24O
SMILES
CC(C1=CC=CC=C1)C2=CC(=C(C=C2)OC)C(C)C3=CC=CC=C3
InChI
InChI=1S/C23H24O/c1-17(19-10-6-4-7-11-19)21-14-15-23(24-3)22(16-21)18(2)20-12-8-5-9-13-20/h4-18H,1-3H3
InChIKey
LSILZVKNUDAPDE-UHFFFAOYSA-N
Compound name
1-methoxy-2,4-bis(1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.1827 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18998 178.4
[M+Na]+ 339.17192 183.5
[M-H]- 315.17542 187.4
[M+NH4]+ 334.21652 192.1
[M+K]+ 355.14586 178.5
[M+H-H2O]+ 299.17996 168.9
[M+HCOO]- 361.18090 199.1
[M+CH3COO]- 375.19655 210.8
[M+Na-2H]- 337.15737 180.1
[M]+ 316.18215 178.6
[M]- 316.18325 178.6
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