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 168.7
[M+Na]+ 333.06682 176.7
[M-H]- 309.07032 175.0
[M+NH4]+ 328.11142 183.2
[M+K]+ 349.04076 171.3
[M+H-H2O]+ 293.07486 160.1
[M+HCOO]- 355.07580 186.2
[M+CH3COO]- 369.09145 179.8
[M+Na-2H]- 331.05227 174.1
[M]+ 310.07705 171.8
[M]- 310.07815 171.8
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.