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]+ 311.084876 168.7
[M+Na]+ 333.066818 176.7
[M-H]- 309.070324 175.0
[M+NH4]+ 328.111423 183.2
[M+K]+ 349.040758 171.3
[M+H-H2O]+ 293.074860 160.1
[M+HCOO]- 355.075801 186.2
[M+CH3COO]- 369.091451 179.8
[M+Na-2H]- 331.052266 174.1
[M]+ 310.07705142 171.8
[M]- 310.07814858 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.