CID 460672

Chembl67963

Structural Information

Molecular Formula
C26H25N
SMILES
CN(CC1=CC=C(C=C1)CC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C26H25N/c1-27(20-25-12-7-11-24-10-5-6-13-26(24)25)19-23-16-14-22(15-17-23)18-21-8-3-2-4-9-21/h2-17H,18-20H2,1H3
InChIKey
NXZDISSVUCNUFZ-UHFFFAOYSA-N
Compound name
1-(4-benzylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.1987 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20598 188.1
[M+Na]+ 374.18792 193.1
[M-H]- 350.19142 198.6
[M+NH4]+ 369.23252 201.4
[M+K]+ 390.16186 186.3
[M+H-H2O]+ 334.19596 177.0
[M+HCOO]- 396.19690 210.5
[M+CH3COO]- 410.21255 198.0
[M+Na-2H]- 372.17337 193.1
[M]+ 351.19815 188.1
[M]- 351.19925 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.