CID 4178348

8-quinolyl n-(4-bromophenyl)carbamate

Structural Information

Molecular Formula
C16H11BrN2O2
SMILES
C1=CC2=C(C(=C1)OC(=O)NC3=CC=C(C=C3)Br)N=CC=C2
InChI
InChI=1S/C16H11BrN2O2/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
AXZYQXKNUBQTGN-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(4-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

342.0004 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00768 168.4
[M+Na]+ 364.98962 178.6
[M-H]- 340.99312 176.9
[M+NH4]+ 360.03422 184.5
[M+K]+ 380.96356 166.7
[M+H-H2O]+ 324.99766 165.9
[M+HCOO]- 386.99860 188.5
[M+CH3COO]- 401.01425 181.3
[M+Na-2H]- 362.97507 177.0
[M]+ 341.99985 187.2
[M]- 342.00095 187.2
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