CID 342200

14628-12-7

Structural Information

Molecular Formula
C16H11BrN2O2
SMILES
C1=CC2=C(C(=C1)OC(=O)NC3=CC(=CC=C3)Br)N=CC=C2
InChI
InChI=1S/C16H11BrN2O2/c17-12-6-2-7-13(10-12)19-16(20)21-14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,19,20)
InChIKey
BCEKERQOLLFFIM-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-(3-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
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

No patent data available for this compound.