CID 160247

3-(((2-methylphenyl)amino)carbonyl)-2-naphthyl chloroacetate

Structural Information

Molecular Formula
C20H16ClNO3
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)CCl
InChI
InChI=1S/C20H16ClNO3/c1-13-6-2-5-9-17(13)22-20(24)16-10-14-7-3-4-8-15(14)11-18(16)25-19(23)12-21/h2-11H,12H2,1H3,(H,22,24)
InChIKey
FMVKYSCWHDVMGO-UHFFFAOYSA-N
Compound name
[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

143
Patents

353.08188 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08916 180.8
[M+Na]+ 376.07110 188.6
[M-H]- 352.07460 188.3
[M+NH4]+ 371.11570 195.1
[M+K]+ 392.04504 182.9
[M+H-H2O]+ 336.07914 173.0
[M+HCOO]- 398.08008 198.3
[M+CH3COO]- 412.09573 214.7
[M+Na-2H]- 374.05655 184.3
[M]+ 353.08133 185.1
[M]- 353.08243 185.1
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