CID 3580942

2-methyl-8-quinolyl n-(4-chloro-2-methylphenyl)carbamate

Structural Information

Molecular Formula
C18H15ClN2O2
SMILES
CC1=NC2=C(C=CC=C2OC(=O)NC3=C(C=C(C=C3)Cl)C)C=C1
InChI
InChI=1S/C18H15ClN2O2/c1-11-10-14(19)8-9-15(11)21-18(22)23-16-5-3-4-13-7-6-12(2)20-17(13)16/h3-10H,1-2H3,(H,21,22)
InChIKey
MHLHJGYLVJRDJY-UHFFFAOYSA-N
Compound name
(2-methylquinolin-8-yl) N-(4-chloro-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0822 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.08948 174.5
[M+Na]+ 349.07142 184.3
[M-H]- 325.07492 181.2
[M+NH4]+ 344.11602 189.2
[M+K]+ 365.04536 178.2
[M+H-H2O]+ 309.07946 166.1
[M+HCOO]- 371.08040 192.0
[M+CH3COO]- 385.09605 186.0
[M+Na-2H]- 347.05687 179.5
[M]+ 326.08165 178.8
[M]- 326.08275 178.8
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.