CID 716734

Quinolin-8-yl tosylcarbamate

Structural Information

Molecular Formula
C17H14N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2=CC=CC3=C2N=CC=C3
InChI
InChI=1S/C17H14N2O4S/c1-12-7-9-14(10-8-12)24(21,22)19-17(20)23-15-6-2-4-13-5-3-11-18-16(13)15/h2-11H,1H3,(H,19,20)
InChIKey
UIXSQQKYZVQBMT-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(4-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

342.0674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07468 176.2
[M+Na]+ 365.05662 184.4
[M-H]- 341.06012 182.7
[M+NH4]+ 360.10122 189.1
[M+K]+ 381.03056 179.8
[M+H-H2O]+ 325.06466 167.8
[M+HCOO]- 387.06560 192.7
[M+CH3COO]- 401.08125 208.4
[M+Na-2H]- 363.04207 182.8
[M]+ 342.06685 180.2
[M]- 342.06795 180.2
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.