CID 27102

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

Structural Information

Molecular Formula
C24H35NOS
SMILES
CCC(CCSCC(CC1CCCO1)CC2=CC=CC3=CC=CC=C32)NC
InChI
InChI=1S/C24H35NOS/c1-3-22(25-2)13-15-27-18-19(17-23-11-7-14-26-23)16-21-10-6-9-20-8-4-5-12-24(20)21/h4-6,8-10,12,19,22-23,25H,3,7,11,13-18H2,1-2H3
InChIKey
QTHUAXPKMRVIGC-UHFFFAOYSA-N
Compound name
N-methyl-1-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.24393 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.25121 198.0
[M+Na]+ 408.23315 199.5
[M-H]- 384.23665 203.9
[M+NH4]+ 403.27775 211.0
[M+K]+ 424.20709 195.0
[M+H-H2O]+ 368.24119 190.0
[M+HCOO]- 430.24213 210.1
[M+CH3COO]- 444.25778 223.1
[M+Na-2H]- 406.21860 195.1
[M]+ 385.24338 200.1
[M]- 385.24448 200.1
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.