CID 203069

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

Structural Information

Molecular Formula
C20H27N3O2
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C20H27N3O2/c1-2-3-4-5-6-9-14-25-18-12-11-16(21)15-17(18)20(24)23-19-10-7-8-13-22-19/h7-8,10-13,15H,2-6,9,14,21H2,1H3,(H,22,23,24)
InChIKey
MOAHKWROHOUQHA-UHFFFAOYSA-N
Compound name
5-amino-2-octoxy-N-pyridin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.217606 184.9
[M+Na]+ 364.199548 188.8
[M-H]- 340.203054 188.8
[M+NH4]+ 359.244153 195.9
[M+K]+ 380.173488 184.0
[M+H-H2O]+ 324.207590 174.7
[M+HCOO]- 386.208531 206.9
[M+CH3COO]- 400.224181 217.7
[M+Na-2H]- 362.184996 187.1
[M]+ 341.20978142 186.3
[M]- 341.21087858 186.3
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.