CID 4120366

8-quinolinyl n-(4-(methylthio)phenyl)carbamate

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
CSC1=CC=C(C=C1)NC(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C17H14N2O2S/c1-22-14-9-7-13(8-10-14)19-17(20)21-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3,(H,19,20)
InChIKey
BNTMSLISVNWGMX-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(4-methylsulfanylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 168.4
[M+Na]+ 333.06682 183.2
[M+NH4]+ 328.11142 177.3
[M+K]+ 349.04076 173.0
[M-H]- 309.07032 173.9
[M+Na-2H]- 331.05227 177.8
[M]+ 310.07705 172.7
[M]- 310.07815 172.7
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.