CID 4605311

5,7-dichloro-8-quinolyl n-phenylcarbamate

Structural Information

Molecular Formula
C16H10Cl2N2O2
SMILES
C1=CC=C(C=C1)NC(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O2/c17-12-9-13(18)15(14-11(12)7-4-8-19-14)22-16(21)20-10-5-2-1-3-6-10/h1-9H,(H,20,21)
InChIKey
GHVKGOZMCZYQNZ-UHFFFAOYSA-N
Compound name
(5,7-dichloroquinolin-8-yl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

332.01193 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01921 170.1
[M+Na]+ 355.00115 180.2
[M-H]- 331.00465 175.8
[M+NH4]+ 350.04575 184.7
[M+K]+ 370.97509 173.5
[M+H-H2O]+ 315.00919 162.5
[M+HCOO]- 377.01013 183.1
[M+CH3COO]- 391.02578 181.3
[M+Na-2H]- 352.98660 176.2
[M]+ 332.01138 174.7
[M]- 332.01248 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe