CID 207808

Brn 4145019

Structural Information

Molecular Formula
C15H17NO2S
SMILES
CCOC(=O)N1C(C=CC2=CC=CC=C21)SCC=C
InChI
InChI=1S/C15H17NO2S/c1-3-11-19-14-10-9-12-7-5-6-8-13(12)16(14)15(17)18-4-2/h3,5-10,14H,1,4,11H2,2H3
InChIKey
AMQWHQDWXBBPKJ-UHFFFAOYSA-N
Compound name
ethyl 2-prop-2-enylsulfanyl-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.098 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 161.9
[M+Na]+ 298.08722 169.4
[M-H]- 274.09072 164.7
[M+NH4]+ 293.13182 178.6
[M+K]+ 314.06116 164.9
[M+H-H2O]+ 258.09526 154.8
[M+HCOO]- 320.09620 176.3
[M+CH3COO]- 334.11185 197.6
[M+Na-2H]- 296.07267 163.9
[M]+ 275.09745 165.6
[M]- 275.09855 165.6
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.