CID 39474

Brn 3007579

Structural Information

Molecular Formula
C23H31NO2S
SMILES
C1CC(OC1)CC(CSCCN2CCOCC2)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C23H31NO2S/c1-2-8-22-19(5-1)6-3-9-23(22)20(17-21-7-4-13-26-21)18-27-16-12-24-10-14-25-15-11-24/h1-3,5-6,8-9,20-21H,4,7,10-18H2
InChIKey
QXDSXSBUSHRGQQ-UHFFFAOYSA-N
Compound name
4-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.20755 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21483 192.4
[M+Na]+ 408.19677 194.2
[M-H]- 384.20027 200.4
[M+NH4]+ 403.24137 202.5
[M+K]+ 424.17071 191.3
[M+H-H2O]+ 368.20481 183.7
[M+HCOO]- 430.20575 200.5
[M+CH3COO]- 444.22140 199.9
[M+Na-2H]- 406.18222 190.3
[M]+ 385.20700 191.0
[M]- 385.20810 191.0
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

No patent data available for this compound.