CID 92715

Quinolinium, 1-ethyl-2-(ethylthio)-6-methyl-, iodide

Structural Information

Molecular Formula
C14H18NS
SMILES
CC[N+]1=C(C=CC2=C1C=CC(=C2)C)SCC
InChI
InChI=1S/C14H18NS/c1-4-15-13-8-6-11(3)10-12(13)7-9-14(15)16-5-2/h6-10H,4-5H2,1-3H3/q+1
InChIKey
SOVLBOMQTPNGBI-UHFFFAOYSA-N
Compound name
1-ethyl-2-ethylsulfanyl-6-methylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.116 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12328 150.0
[M+Na]+ 255.10522 159.6
[M-H]- 231.10872 154.0
[M+NH4]+ 250.14982 168.9
[M+K]+ 271.07916 149.5
[M+H-H2O]+ 215.11326 146.1
[M+HCOO]- 277.11420 166.1
[M+CH3COO]- 291.12985 187.2
[M+Na-2H]- 253.09067 155.9
[M]+ 232.11545 153.0
[M]- 232.11655 153.0
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

patents stripe