CID 3669880

Quinolin-8-yl (4-chlorophenyl)carbamate

Structural Information

Molecular Formula
C16H11ClN2O2
SMILES
C1=CC2=C(C(=C1)OC(=O)NC3=CC=C(C=C3)Cl)N=CC=C2
InChI
InChI=1S/C16H11ClN2O2/c17-12-6-8-13(9-7-12)19-16(20)21-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H,(H,19,20)
InChIKey
OFYNLPAVKOZJRQ-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

298.0509 Da
Monoisotopic Mass

4.0
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

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