CID 201504

Benzamide, n-(5-amino-2-(octyloxy)benzyl)-

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]+ 355.23802 189.9
[M+Na]+ 377.21996 193.0
[M-H]- 353.22346 194.8
[M+NH4]+ 372.26456 201.7
[M+K]+ 393.19390 187.9
[M+H-H2O]+ 337.22800 180.3
[M+HCOO]- 399.22894 212.5
[M+CH3COO]- 413.24459 221.1
[M+Na-2H]- 375.20541 190.7
[M]+ 354.23019 191.5
[M]- 354.23129 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.