CID 3052115

68484-43-5

Structural Information

Molecular Formula
C24H34N2O2
SMILES
CC1=C(C2=C(COC2)C(=N1)CC3=CC=CC=C3)OCCC(C)CCNC(C)C
InChI
InChI=1S/C24H34N2O2/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20/h5-9,17-18,25H,10-16H2,1-4H3
InChIKey
LEMLOMDGSUCQBC-UHFFFAOYSA-N
Compound name
5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

382.26202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.269296 200.1
[M+Na]+ 405.251238 203.6
[M-H]- 381.254744 205.7
[M+NH4]+ 400.295843 211.5
[M+K]+ 421.225178 200.0
[M+H-H2O]+ 365.259280 190.6
[M+HCOO]- 427.260221 217.2
[M+CH3COO]- 441.275871 226.3
[M+Na-2H]- 403.236686 198.7
[M]+ 382.26147142 203.8
[M]- 382.26256858 203.8
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

patents stripe