CID 3052121

4-((4-benzyl-6-methyl-1,3-dihydrofuro(3,4-c)pyridin-7-yl)oxy)-n-isobutyl-1-butanamine 2hcl

Structural Information

Molecular Formula
C23H32N2O2
SMILES
CCC(C)NCCCCOC1=C(N=C(C2=C1COC2)CC3=CC=CC=C3)C
InChI
InChI=1S/C23H32N2O2/c1-4-17(2)24-12-8-9-13-27-23-18(3)25-22(20-15-26-16-21(20)23)14-19-10-6-5-7-11-19/h5-7,10-11,17,24H,4,8-9,12-16H2,1-3H3
InChIKey
HSASLRDHUKJQBO-UHFFFAOYSA-N
Compound name
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-butan-2-ylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24637 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.253646 194.9
[M+Na]+ 391.235588 199.2
[M-H]- 367.239094 200.6
[M+NH4]+ 386.280193 207.0
[M+K]+ 407.209528 195.3
[M+H-H2O]+ 351.243630 185.4
[M+HCOO]- 413.244571 213.4
[M+CH3COO]- 427.260221 222.5
[M+Na-2H]- 389.221036 195.2
[M]+ 368.24582142 198.8
[M]- 368.24691858 198.8
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.