CID 27143

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

Structural Information

Molecular Formula
C21H29NOS
SMILES
CN(C)CCSCC(CC1CCCO1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H29NOS/c1-22(2)12-14-24-16-18(15-19-9-6-13-23-19)21-11-5-8-17-7-3-4-10-20(17)21/h3-5,7-8,10-11,18-19H,6,9,12-16H2,1-2H3
InChIKey
VTWJGBZXRRVCSX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

343.197 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20428 185.4
[M+Na]+ 366.18622 188.8
[M-H]- 342.18972 193.5
[M+NH4]+ 361.23082 200.9
[M+K]+ 382.16016 185.9
[M+H-H2O]+ 326.19426 177.7
[M+HCOO]- 388.19520 200.1
[M+CH3COO]- 402.21085 216.8
[M+Na-2H]- 364.17167 184.3
[M]+ 343.19645 188.4
[M]- 343.19755 188.4
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.