CID 853660

5-chloroquinolin-8-yl phenylcarbamate

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC=C(C=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3
InChI
InChI=1S/C16H11ClN2O2/c17-13-8-9-14(15-12(13)7-4-10-18-15)21-16(20)19-11-5-2-1-3-6-11/h1-10H,(H,19,20)
InChIKey
KGYKIUCHGZYUHP-UHFFFAOYSA-N
Compound name
(5-chloroquinolin-8-yl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

298.0509 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05818 165.2
[M+Na]+ 321.04012 181.7
[M+NH4]+ 316.08472 174.2
[M+K]+ 337.01406 172.7
[M-H]- 297.04362 170.6
[M+Na-2H]- 319.02557 175.4
[M]+ 298.05035 169.5
[M]- 298.05145 169.5
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