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 204.9
[M+Na]+ 419.26690 208.5
[M-H]- 395.27040 211.7
[M+NH4]+ 414.31150 216.5
[M+K]+ 435.24084 205.4
[M+H-H2O]+ 379.27494 194.9
[M+HCOO]- 441.27588 223.2
[M+CH3COO]- 455.29153 231.7
[M+Na-2H]- 417.25235 203.3
[M]+ 396.27713 210.7
[M]- 396.27823 210.7
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