CID 460670

Chembl66578

Structural Information

Molecular Formula
C26H23NO
SMILES
CN(CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H23NO/c1-27(19-24-12-7-11-21-8-5-6-13-25(21)24)18-20-14-16-23(17-15-20)26(28)22-9-3-2-4-10-22/h2-17H,18-19H2,1H3
InChIKey
IRCAVBUUERHACF-UHFFFAOYSA-N
Compound name
[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17798 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18526 190.8
[M+Na]+ 388.16720 195.5
[M-H]- 364.17070 201.4
[M+NH4]+ 383.21180 203.2
[M+K]+ 404.14114 189.5
[M+H-H2O]+ 348.17524 179.7
[M+HCOO]- 410.17618 212.5
[M+CH3COO]- 424.19183 200.4
[M+Na-2H]- 386.15265 194.7
[M]+ 365.17743 190.9
[M]- 365.17853 190.9
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

No patent data available for this compound.