CID 13806742

1-(4-methoxyphenyl)-1,2-diphenylbutan-1-ol

Structural Information

Molecular Formula
C23H24O2
SMILES
CCC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C23H24O2/c1-3-22(18-10-6-4-7-11-18)23(24,19-12-8-5-9-13-19)20-14-16-21(25-2)17-15-20/h4-17,22,24H,3H2,1-2H3
InChIKey
NLBVQBATUNTIPI-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-1,2-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.17764 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18492 181.8
[M+Na]+ 355.16686 186.2
[M-H]- 331.17036 189.4
[M+NH4]+ 350.21146 194.0
[M+K]+ 371.14080 181.0
[M+H-H2O]+ 315.17490 172.7
[M+HCOO]- 377.17584 200.6
[M+CH3COO]- 391.19149 208.8
[M+Na-2H]- 353.15231 185.8
[M]+ 332.17709 181.4
[M]- 332.17819 181.4
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