CID 4190741

8-quinolyl n-(2,4,5-trichlorophenyl)carbamate

Structural Information

Molecular Formula
C16H9Cl3N2O2
SMILES
C1=CC2=C(C(=C1)OC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl)N=CC=C2
InChI
InChI=1S/C16H9Cl3N2O2/c17-10-7-12(19)13(8-11(10)18)21-16(22)23-14-5-1-3-9-4-2-6-20-15(9)14/h1-8H,(H,21,22)
InChIKey
JYZJTRDZLRICNM-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(2,4,5-trichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.97296 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.98024 175.3
[M+Na]+ 388.96218 186.1
[M-H]- 364.96568 179.9
[M+NH4]+ 384.00678 188.8
[M+K]+ 404.93612 179.1
[M+H-H2O]+ 348.97022 168.5
[M+HCOO]- 410.97116 182.9
[M+CH3COO]- 424.98681 185.7
[M+Na-2H]- 386.94763 179.5
[M]+ 365.97241 180.6
[M]- 365.97351 180.6
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.