CID 52650

2-furanpropanethiol, tetrahydro-s-(2-diethylaminoethyl)-beta-(1-naphthyl)-, oxalate

Structural Information

Molecular Formula
C23H33NOS
SMILES
CCN(CC)CCSCC(CC1CCCO1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H33NOS/c1-3-24(4-2)14-16-26-18-20(17-21-11-8-15-25-21)23-13-7-10-19-9-5-6-12-22(19)23/h5-7,9-10,12-13,20-21H,3-4,8,11,14-18H2,1-2H3
InChIKey
DOGHWCOQZOMESO-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.22827 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.23555 194.4
[M+Na]+ 394.21749 196.8
[M-H]- 370.22099 202.0
[M+NH4]+ 389.26209 208.7
[M+K]+ 410.19143 193.4
[M+H-H2O]+ 354.22553 186.2
[M+HCOO]- 416.22647 208.4
[M+CH3COO]- 430.24212 222.6
[M+Na-2H]- 392.20294 192.3
[M]+ 371.22772 198.0
[M]- 371.22882 198.0
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.