CID 3052103

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

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CCC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCN(C)C
InChI
InChI=1S/C21H28N2O2/c1-4-19-21(25-12-8-11-23(2)3)18-15-24-14-17(18)20(22-19)13-16-9-6-5-7-10-16/h5-7,9-10H,4,8,11-15H2,1-3H3
InChIKey
ITRQPMVJXFQPOW-UHFFFAOYSA-N
Compound name
3-[(4-benzyl-6-ethyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 185.8
[M+Na]+ 363.20432 191.5
[M-H]- 339.20782 193.3
[M+NH4]+ 358.24892 199.8
[M+K]+ 379.17826 188.9
[M+H-H2O]+ 323.21236 176.5
[M+HCOO]- 385.21330 206.5
[M+CH3COO]- 399.22895 219.1
[M+Na-2H]- 361.18977 187.5
[M]+ 340.21455 190.9
[M]- 340.21565 190.9
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.