CID 3052117

68484-45-7

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CCN(CC)CCC(C)CCOC1=C(N=C(C2=C1COC2)CC3=CC=CC=C3)C
InChI
InChI=1S/C25H36N2O2/c1-5-27(6-2)14-12-19(3)13-15-29-25-20(4)26-24(22-17-28-18-23(22)25)16-21-10-8-7-9-11-21/h7-11,19H,5-6,12-18H2,1-4H3
InChIKey
OQVUTFOQUFFPEW-UHFFFAOYSA-N
Compound name
5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N,N-diethyl-3-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

396.27768 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 202.7
[M+Na]+ 419.26690 214.3
[M+NH4]+ 414.31150 209.9
[M+K]+ 435.24084 207.8
[M-H]- 395.27040 208.5
[M+Na-2H]- 417.25235 207.1
[M]+ 396.27713 206.0
[M]- 396.27823 206.0
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