CID 460678

Chembl303242

Structural Information

Molecular Formula
C27H28N2
SMILES
CCN(C1=CC=CC=C1)C2=CC=C(C=C2)CN(C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H28N2/c1-3-29(25-13-5-4-6-14-25)26-18-16-22(17-19-26)20-28(2)21-24-12-9-11-23-10-7-8-15-27(23)24/h4-19H,3,20-21H2,1-2H3
InChIKey
NKYBQJIRWCMCPZ-UHFFFAOYSA-N
Compound name
N-ethyl-4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.22525 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23253 196.2
[M+Na]+ 403.21447 199.7
[M-H]- 379.21797 207.7
[M+NH4]+ 398.25907 208.4
[M+K]+ 419.18841 194.3
[M+H-H2O]+ 363.22251 184.3
[M+HCOO]- 425.22345 219.6
[M+CH3COO]- 439.23910 205.5
[M+Na-2H]- 401.19992 200.4
[M]+ 380.22470 197.0
[M]- 380.22580 197.0
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.