CID 27106

2-furanpropanethiol, tetrahydro-s-(2-morpholinoethyl)-beta-(1-naphthylmethyl)-, oxalate

Structural Information

Molecular Formula
C24H33NO2S
SMILES
C1CC(OC1)CC(CC2=CC=CC3=CC=CC=C32)CSCCN4CCOCC4
InChI
InChI=1S/C24H33NO2S/c1-2-9-24-21(5-1)6-3-7-22(24)17-20(18-23-8-4-13-27-23)19-28-16-12-25-10-14-26-15-11-25/h1-3,5-7,9,20,23H,4,8,10-19H2
InChIKey
BZZGJBDOMKKAIB-UHFFFAOYSA-N
Compound name
4-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.2232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.23048 196.7
[M+Na]+ 422.21242 198.1
[M-H]- 398.21592 204.5
[M+NH4]+ 417.25702 206.2
[M+K]+ 438.18636 194.9
[M+H-H2O]+ 382.22046 187.8
[M+HCOO]- 444.22140 204.5
[M+CH3COO]- 458.23705 203.8
[M+Na-2H]- 420.19787 194.1
[M]+ 399.22265 195.6
[M]- 399.22375 195.6
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.