CID 3406785

2-methyl-8-quinolyl n-(4-bromophenyl)carbamate

Structural Information

Molecular Formula
C17H13BrN2O2
SMILES
CC1=NC2=C(C=CC=C2OC(=O)NC3=CC=C(C=C3)Br)C=C1
InChI
InChI=1S/C17H13BrN2O2/c1-11-5-6-12-3-2-4-15(16(12)19-11)22-17(21)20-14-9-7-13(18)8-10-14/h2-10H,1H3,(H,20,21)
InChIKey
UCXALOXRZJPHFD-UHFFFAOYSA-N
Compound name
(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

356.01605 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.023326 173.3
[M+Na]+ 379.005268 183.9
[M-H]- 355.008774 181.9
[M+NH4]+ 374.049873 189.1
[M+K]+ 394.979208 171.8
[M+H-H2O]+ 339.013310 170.6
[M+HCOO]- 401.014251 193.0
[M+CH3COO]- 415.029901 186.1
[M+Na-2H]- 376.990716 180.6
[M]+ 356.01550142 192.8
[M]- 356.01659858 192.8
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