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 205.2
[M+Na]+ 419.26690 208.4
[M-H]- 395.27040 212.1
[M+NH4]+ 414.31150 216.7
[M+K]+ 435.24084 206.0
[M+H-H2O]+ 379.27494 195.5
[M+HCOO]- 441.27588 222.4
[M+CH3COO]- 455.29153 232.6
[M+Na-2H]- 417.25235 202.4
[M]+ 396.27713 210.4
[M]- 396.27823 210.4
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.