CID 3623243

8-quinolyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C16H10Cl2N2O2
SMILES
C1=CC2=C(C(=C1)OC(=O)NC3=CC(=C(C=C3)Cl)Cl)N=CC=C2
InChI
InChI=1S/C16H10Cl2N2O2/c17-12-7-6-11(9-13(12)18)20-16(21)22-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKey
OPQKNBYTDQCNCX-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.01193 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01921 171.3
[M+Na]+ 355.00115 188.6
[M+NH4]+ 350.04575 180.3
[M+K]+ 370.97509 179.0
[M-H]- 331.00465 176.5
[M+Na-2H]- 352.98660 181.0
[M]+ 332.01138 176.0
[M]- 332.01248 176.0
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.