CID 146795

Barucainide

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCNC(C)C
InChI
InChI=1S/C22H30N2O2/c1-16(2)23-11-7-8-12-26-22-17(3)24-21(19-14-25-15-20(19)22)13-18-9-5-4-6-10-18/h4-6,9-10,16,23H,7-8,11-15H2,1-3H3
InChIKey
KXSKBNFNSAMNEZ-UHFFFAOYSA-N
Compound name
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-propan-2-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

65
Patents

354.23074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.238016 190.3
[M+Na]+ 377.219958 195.1
[M-H]- 353.223464 196.3
[M+NH4]+ 372.264563 203.0
[M+K]+ 393.193898 191.4
[M+H-H2O]+ 337.228000 181.0
[M+HCOO]- 399.228941 209.1
[M+CH3COO]- 413.244591 219.6
[M+Na-2H]- 375.205406 191.1
[M]+ 354.23019142 193.9
[M]- 354.23128858 193.9
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

patents stripe