CID 984642

Einecs 282-098-7

Structural Information

Molecular Formula
C20H16ClNO3
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)C
InChI
InChI=1S/C20H16ClNO3/c1-12-9-16(21)7-8-18(12)22-20(24)17-10-14-5-3-4-6-15(14)11-19(17)25-13(2)23/h3-11H,1-2H3,(H,22,24)
InChIKey
YDDXGGLEFKLWAW-UHFFFAOYSA-N
Compound name
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.08188 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.08916 180.7
[M+Na]+ 376.07110 189.5
[M-H]- 352.07460 188.6
[M+NH4]+ 371.11570 195.4
[M+K]+ 392.04504 183.9
[M+H-H2O]+ 336.07914 173.1
[M+HCOO]- 398.08008 198.2
[M+CH3COO]- 412.09573 216.0
[M+Na-2H]- 374.05655 183.5
[M]+ 353.08133 185.4
[M]- 353.08243 185.4
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.