CID 460676

Chembl67338

Structural Information

Molecular Formula
C27H26N2O
SMILES
CC(=O)N(C1=CC=CC=C1)C2=CC=C(C=C2)CN(C)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H26N2O/c1-21(30)29(25-12-4-3-5-13-25)26-17-15-22(16-18-26)19-28(2)20-24-11-8-10-23-9-6-7-14-27(23)24/h3-18H,19-20H2,1-2H3
InChIKey
HJCCIJBFOAJTKK-UHFFFAOYSA-N
Compound name
N-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.2045 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.21178 198.9
[M+Na]+ 417.19372 202.3
[M-H]- 393.19722 210.6
[M+NH4]+ 412.23832 210.3
[M+K]+ 433.16766 197.7
[M+H-H2O]+ 377.20176 187.1
[M+HCOO]- 439.20270 221.7
[M+CH3COO]- 453.21835 208.0
[M+Na-2H]- 415.17917 202.1
[M]+ 394.20395 199.8
[M]- 394.20505 199.8
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.