CID 201504

6113-85-5

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)CNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H30N2O2/c1-2-3-4-5-6-10-15-26-21-14-13-20(23)16-19(21)17-24-22(25)18-11-8-7-9-12-18/h7-9,11-14,16H,2-6,10,15,17,23H2,1H3,(H,24,25)
InChIKey
IUPOVWYQIQISOI-UHFFFAOYSA-N
Compound name
N-[(5-amino-2-octoxyphenyl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 189.9
[M+Na]+ 377.219958 193.0
[M-H]- 353.223464 194.8
[M+NH4]+ 372.264563 201.7
[M+K]+ 393.193898 187.9
[M+H-H2O]+ 337.228000 180.3
[M+HCOO]- 399.228941 212.5
[M+CH3COO]- 413.244591 221.1
[M+Na-2H]- 375.205406 190.7
[M]+ 354.23019142 191.5
[M]- 354.23128858 191.5
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.