CID 16072500

548446-45-3

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
CC(=O)NC1=C(C2=C(C=CC(=C2)Cl)N=C1OC(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C19H15ClN2O3/c1-11(23)21-18-17(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)22-19(18)25-12(2)24/h3-10H,1-2H3,(H,21,23)
InChIKey
ZZGXDCFMEDQFKA-UHFFFAOYSA-N
Compound name
(3-acetamido-6-chloro-4-phenylquinolin-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07712 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08440 180.3
[M+Na]+ 377.06634 189.4
[M-H]- 353.06984 187.0
[M+NH4]+ 372.11094 193.6
[M+K]+ 393.04028 183.9
[M+H-H2O]+ 337.07438 171.9
[M+HCOO]- 399.07532 196.8
[M+CH3COO]- 413.09097 215.7
[M+Na-2H]- 375.05179 183.9
[M]+ 354.07657 185.1
[M]- 354.07767 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.