CID 4421789

2-methylquinolin-8-yl phenylcarbamate

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CC1=NC2=C(C=CC=C2OC(=O)NC3=CC=CC=C3)C=C1
InChI
InChI=1S/C17H14N2O2/c1-12-10-11-13-6-5-9-15(16(13)18-12)21-17(20)19-14-7-3-2-4-8-14/h2-11H,1H3,(H,19,20)
InChIKey
JZXXTWUVIOPHOR-UHFFFAOYSA-N
Compound name
(2-methylquinolin-8-yl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

278.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 163.7
[M+Na]+ 301.09475 179.1
[M+NH4]+ 296.13935 172.3
[M+K]+ 317.06869 170.8
[M-H]- 277.09825 169.1
[M+Na-2H]- 299.08020 173.6
[M]+ 278.10498 167.5
[M]- 278.10608 167.5
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