CID 16125076

Chembl244180

Structural Information

Molecular Formula
C32H31NO2
SMILES
CN(C)CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C32H31NO2/c1-33(2)20-21-35-28-18-14-24(15-19-28)31(23-12-16-27(34-3)17-13-23)32-29-10-6-4-8-25(29)22-26-9-5-7-11-30(26)32/h4-19,22,31H,20-21H2,1-3H3
InChIKey
CIHDOBRPBFRYRH-UHFFFAOYSA-N
Compound name
2-[4-[anthracen-9-yl-(4-methoxyphenyl)methyl]phenoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

461.23547 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.24275 218.8
[M+Na]+ 484.22469 223.8
[M-H]- 460.22819 230.1
[M+NH4]+ 479.26929 228.1
[M+K]+ 500.19863 217.7
[M+H-H2O]+ 444.23273 205.7
[M+HCOO]- 506.23367 238.7
[M+CH3COO]- 520.24932 226.7
[M+Na-2H]- 482.21014 221.5
[M]+ 461.23492 223.0
[M]- 461.23602 223.0
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

No patent data available for this compound.