CID 3052156

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

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCCCN(C(C)C)C(C)C
InChI
InChI=1S/C25H36N2O2/c1-18(2)27(19(3)4)13-9-10-14-29-25-20(5)26-24(22-16-28-17-23(22)25)15-21-11-7-6-8-12-21/h6-8,11-12,18-19H,9-10,13-17H2,1-5H3
InChIKey
QJMXULVDCRUULT-UHFFFAOYSA-N
Compound name
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-di(propan-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.27768 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 202.2
[M+Na]+ 419.26690 213.4
[M+NH4]+ 414.31150 209.3
[M+K]+ 435.24084 207.8
[M-H]- 395.27040 207.8
[M+Na-2H]- 417.25235 206.3
[M]+ 396.27713 205.4
[M]- 396.27823 205.4
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.