CID 25170

N-(2-morpholinoethyl)-beta-tetrahydrofurfuryl-1-naphthalenepropylamine bioxalate

Structural Information

Molecular Formula
C24H34N2O2
SMILES
C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)CNCCN4CCOCC4
InChI
InChI=1S/C24H34N2O2/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-14-28-23)19-25-10-11-26-12-15-27-16-13-26/h1-3,5-7,9,20,23,25H,4,8,10-19H2
InChIKey
FWQWPJCMJGKRCQ-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 194.9
[M+Na]+ 405.25124 194.3
[M-H]- 381.25474 202.2
[M+NH4]+ 400.29584 203.5
[M+K]+ 421.22518 191.3
[M+H-H2O]+ 365.25928 184.3
[M+HCOO]- 427.26022 207.6
[M+CH3COO]- 441.27587 201.5
[M+Na-2H]- 403.23669 194.8
[M]+ 382.26147 190.5
[M]- 382.26257 190.5
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.