CID 460675

Chembl66488

Structural Information

Molecular Formula
C25H23NO
SMILES
CN(CC1=CC=C(C=C1)OC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C25H23NO/c1-26(19-22-10-7-9-21-8-5-6-13-25(21)22)18-20-14-16-24(17-15-20)27-23-11-3-2-4-12-23/h2-17H,18-19H2,1H3
InChIKey
QVRXMYBXVCPOGT-UHFFFAOYSA-N
Compound name
N-methyl-N-(naphthalen-1-ylmethyl)-1-(4-phenoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.17798 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18526 187.1
[M+Na]+ 376.16720 192.3
[M-H]- 352.17070 197.9
[M+NH4]+ 371.21180 200.2
[M+K]+ 392.14114 186.5
[M+H-H2O]+ 336.17524 176.0
[M+HCOO]- 398.17618 210.0
[M+CH3COO]- 412.19183 197.2
[M+Na-2H]- 374.15265 192.7
[M]+ 353.17743 188.1
[M]- 353.17853 188.1
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.