CID 3052119

1-butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-n-ethyl-,dihydrochloride

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCNCCCCOC1=C(N=C(C2=C1COC2)CC3=CC=CC=C3)C
InChI
InChI=1S/C21H28N2O2/c1-3-22-11-7-8-12-25-21-16(2)23-20(18-14-24-15-19(18)21)13-17-9-5-4-6-10-17/h4-6,9-10,22H,3,7-8,11-15H2,1-2H3
InChIKey
YAXLOVHGTUTTKU-UHFFFAOYSA-N
Compound name
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-ethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 185.5
[M+Na]+ 363.20432 198.1
[M+NH4]+ 358.24892 193.3
[M+K]+ 379.17826 191.2
[M-H]- 339.20782 191.3
[M+Na-2H]- 361.18977 191.0
[M]+ 340.21455 188.9
[M]- 340.21565 188.9
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.