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]+ 276.105276 161.9
[M+Na]+ 298.087218 169.4
[M-H]- 274.090724 164.7
[M+NH4]+ 293.131823 178.6
[M+K]+ 314.061158 164.9
[M+H-H2O]+ 258.095260 154.8
[M+HCOO]- 320.096201 176.3
[M+CH3COO]- 334.111851 197.6
[M+Na-2H]- 296.072666 163.9
[M]+ 275.09745142 165.6
[M]- 275.09854858 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.