CID 3052109

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

Structural Information

Molecular Formula
C24H34N2O2
SMILES
CCCN(CCC)CCCOC1=C(N=C(C2=C1COC2)CC3=CC=CC=C3)C
InChI
InChI=1S/C24H34N2O2/c1-4-12-26(13-5-2)14-9-15-28-24-19(3)25-23(21-17-27-18-22(21)24)16-20-10-7-6-8-11-20/h6-8,10-11H,4-5,9,12-18H2,1-3H3
InChIKey
XNJAOYKABYGGGQ-UHFFFAOYSA-N
Compound name
3-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-dipropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.269296 199.7
[M+Na]+ 405.251238 204.0
[M-H]- 381.254744 206.6
[M+NH4]+ 400.295843 212.0
[M+K]+ 421.225178 200.7
[M+H-H2O]+ 365.259280 189.7
[M+HCOO]- 427.260221 219.3
[M+CH3COO]- 441.275871 227.9
[M+Na-2H]- 403.236686 199.8
[M]+ 382.26147142 205.8
[M]- 382.26256858 205.8
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.