CID 4305757

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

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
CC1=NC2=C(C=CC=C2OC(=O)NC3=CC=C(C=C3)Cl)C=C1
InChI
InChI=1S/C17H13ClN2O2/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
NDGVCMKVFPATBE-UHFFFAOYSA-N
Compound name
(2-methylquinolin-8-yl) N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06656 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 169.5
[M+Na]+ 335.05578 178.9
[M-H]- 311.05928 175.9
[M+NH4]+ 330.10038 184.4
[M+K]+ 351.02972 172.9
[M+H-H2O]+ 295.06382 161.1
[M+HCOO]- 357.06476 187.3
[M+CH3COO]- 371.08041 181.1
[M+Na-2H]- 333.04123 175.8
[M]+ 312.06601 173.0
[M]- 312.06711 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.