CID 3052105

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

Structural Information

Molecular Formula
C26H30N2O2
SMILES
CN(C)CCCOC1=C(N=C(C2=C1COC2)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H30N2O2/c1-28(2)14-9-15-30-26-23-19-29-18-22(23)24(16-20-10-5-3-6-11-20)27-25(26)17-21-12-7-4-8-13-21/h3-8,10-13H,9,14-19H2,1-2H3
InChIKey
KYRRGRNLSFUSNH-UHFFFAOYSA-N
Compound name
3-[(4,6-dibenzyl-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

2
Patents

402.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.23802 202.0
[M+Na]+ 425.21996 206.6
[M-H]- 401.22346 212.2
[M+NH4]+ 420.26456 212.7
[M+K]+ 441.19390 202.4
[M+H-H2O]+ 385.22800 190.8
[M+HCOO]- 447.22894 222.1
[M+CH3COO]- 461.24459 211.1
[M+Na-2H]- 423.20541 203.1
[M]+ 402.23019 205.9
[M]- 402.23129 205.9
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

patents stripe