CID 211929

Acetamide, n-benzyl-n-2-pyridyl-2-(3,4,5-trimethoxyphenyl)-, monohydrobromide

Structural Information

Molecular Formula
C23H24N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)CC(=O)N(CC2=CC=CC=C2)C3=CC=CC=N3
InChI
InChI=1S/C23H24N2O4/c1-27-19-13-18(14-20(28-2)23(19)29-3)15-22(26)25(21-11-7-8-12-24-21)16-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3
InChIKey
POAXINXUJNSCOK-UHFFFAOYSA-N
Compound name
N-benzyl-N-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1736 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18088 195.4
[M+Na]+ 415.16282 200.6
[M-H]- 391.16632 204.7
[M+NH4]+ 410.20742 204.8
[M+K]+ 431.13676 197.8
[M+H-H2O]+ 375.17086 183.6
[M+HCOO]- 437.17180 217.9
[M+CH3COO]- 451.18745 226.7
[M+Na-2H]- 413.14827 197.6
[M]+ 392.17305 201.0
[M]- 392.17415 201.0
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.